10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine

C34H32F2NO2P — CID 101499255

IUPAC10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine
SMILESCN(C)p1oc2c(-c3ccc(F)cc3)cc3c(c2c2c4c(cc(-c5ccc(F)cc5)c2o1)CCCC4)CCCC3
InChIInChI=1S/C34H32F2NO2P/c1-37(2)40-38-33-29(21-11-15-25(35)16-12-21)19-23-7-3-5-9-27(23)31(33)32-28-10-6-4-8-24(28)20-30(34(32)39-40)22-13-17-26(36)18-14-22/h11-20H,3-10H2,1-2H3
InChIKeyAZWZPHXMZVKFEZ-UHFFFAOYSA-N
MW555.61 g/mol
LogP9.86
Rot. Bonds3

About 10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine

10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine (PubChem CID 101499255) has the molecular formula C34H32F2NO2P and a molecular weight of 555.61 g/mol. Its IUPAC name is 10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine.

Molecular Properties

Compound Name10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine
PubChem CID101499255
Molecular FormulaC34H32F2NO2P
Molecular Weight555.61 g/mol
Exact Mass555.21
IUPAC Name10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine
SMILESCN(C)p1oc2c(-c3ccc(F)cc3)cc3c(c2c2c4c(cc(-c5ccc(F)cc5)c2o1)CCCC4)CCCC3
InChIInChI=1S/C34H32F2NO2P/c1-37(2)40-38-33-29(21-11-15-25(35)16-12-21)19-23-7-3-5-9-27(23)31(33)32-28-10-6-4-8-24(28)20-30(34(32)39-40)22-13-17-26(36)18-14-22/h11-20H,3-10H2,1-2H3
InChIKeyAZWZPHXMZVKFEZ-UHFFFAOYSA-N
XLogP9.86
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.61
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine with MolForge

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Related Compounds

13-Chloro-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-decaene
CID 4372074
(S)-(+)-(3,5-Dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine
CID 10893715
N-Benzyl-N-methyldinaphtho(2,1-d:1',2'-f)(1,3,2)dioxaphosphepin-4-amine
CID 11453323
N,N-Bis((R)-1-phenylethyl)dinaphtho(2,1-d:1',2'-f)(1,3,2)dioxaphosphepin-4-amine
CID 10886035
(S,S)-Kelliphite
CID 11815482
N,N,2,6-Tetramethyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CID 11452018
1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)piperidine
CID 11429465
(11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 10148332
(R)-4-Phenoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 10525496
Binaphos
CID 10898017
N,N-Bis((S)-1-phenylethyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CID 11731247
11bS-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine
CID 12128642

Frequently Asked Questions

What is the IUPAC name of 10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine?
The IUPAC name of 10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine (CID 101499255) is 10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine.
What is the SMILES notation for 10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine?
The canonical SMILES for 10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine is CN(C)p1oc2c(-c3ccc(F)cc3)cc3c(c2c2c4c(cc(-c5ccc(F)cc5)c2o1)CCCC4)CCCC3.
What is the InChIKey of 10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine?
The InChIKey is AZWZPHXMZVKFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F2NO2P/c1-37(2)40-38-33-29(21-11-15-25(35)16-12-21)19-23-7-3-5-9-27(23)31(33)32-28-10-6-4-8-24(28)20-30(34(32)39-40)22-13-17-26(36)18-14-22/h11-20H,3-10H2,1-2H3.
What are the key properties of 10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine?
10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine has a molecular weight of 555.61 g/mol, XLogP of 9.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16-bis(4-fluorophenyl)-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-amine is sourced from PubChem (CID 101499255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).