N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine

Catalog Number	ACM1258223390
CAS	1258223-39-0
IUPAC Name	N-(1-phenylethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
Molecular Weight	435.45
Molecular Formula	C28H22NO2P
InChI	OXUOPBPAVLQNGC-UHFFFAOYSA-N
InChI Key	InChI=1S/C28H22NO2P/c1-19(20-9-3-2-4-10-20)29-32-30-25-17-15-21-11-5-7-13-23(21)27(25)28-24-14-8-6-12-22(24)16-18-26(28)31-32/h2-19,29H,1H3
Purity	98%
Appearance	Solid
Isomeric SMILES	CC(C1=CC=CC=C1)NP2OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65

Q&A

What is the molecular formula of N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The molecular formula is C28H22NO2P.

What is the molecular weight of N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The molecular weight is 435.5 g/mol.

What is the exact mass of N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The exact mass is 435.13881594.

What is the Canonical SMILES representation of N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The Canonical SMILES is CC(C1=CC=CC=C1)NP2OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65.

How many hydrogen bond acceptor counts are there in N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

There are 3 hydrogen bond acceptor counts.

How many hydrogen bond donor counts are there in N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

There is 1 hydrogen bond donor count.

What is the XLogP3 value of N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The XLogP3 value is 7.5.

What is the InChIKey of N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The InChIKey is OXUOPBPAVLQNGC-IBGZPJMESA-N.

What is the depositor-supplied synonym for N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The depositor-supplied synonym is 422509-53-3.

What is the IUPAC name of N-(1-Phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The IUPAC name is N-[(1S)-1-phenylethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.0²,¹¹.0³,⁸.0¹⁸,²³]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine.