5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene

C19H14ClN2P — CID 134869959

IUPAC5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene
SMILESClC1=NP(c2ccccc2)(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C19H14ClN2P/c20-19-17-13-7-8-14-18(17)21-23(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyLMIBCHUXLCWOEW-UHFFFAOYSA-N
MW336.76 g/mol
LogP5.08
Rot. Bonds2

About 5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene

5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene (PubChem CID 134869959) has the molecular formula C19H14ClN2P and a molecular weight of 336.76 g/mol. Its IUPAC name is 5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene.

Molecular Properties

Compound Name5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene
PubChem CID134869959
Molecular FormulaC19H14ClN2P
Molecular Weight336.76 g/mol
Exact Mass336.06
IUPAC Name5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene
SMILESClC1=NP(c2ccccc2)(c2ccccc2)=Nc2ccccc21
InChIInChI=1S/C19H14ClN2P/c20-19-17-13-7-8-14-18(17)21-23(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKeyLMIBCHUXLCWOEW-UHFFFAOYSA-N
XLogP5.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.76
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,2,4-trifluoro-4,6,6-triphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 23417905
N,N-diethyl-2,2-diphenyl-6-(trichloromethyl)-1,3,5-triaza-2lambda5-phosphacyclohexa-2,4,6-trien-4-amine
CID 3401726
2-methyl-2-(2-methyl-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)-4,4,6,6-tetraphenyl-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 23417929
CID 5382536
CID 5382536
2-methylindole-3-thione
CID 54486466
4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine
CID 165048378
2-chlorobenzo[cd]indole
CID 19914569
3-(2-bromophenyl)-4-chloro-2-methylquinoline
CID 164671168
5-(1,3-dichloroazulen-2-yl)pyrimidine
CID 127027783
(1S,15S)-1,15-dichloro-17,17-diphenyl-2,5,8,11,14-pentaoxa-16,18,19-triaza-1λ5,15λ5,17λ5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene
CID 139063722
azane;1,2-dichlorobenzene
CID 70584322
benzene;chlorobenzene
CID 159657667

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene?
The IUPAC name of 5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene (CID 134869959) is 5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene.
What is the SMILES notation for 5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene?
The canonical SMILES for 5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene is ClC1=NP(c2ccccc2)(c2ccccc2)=Nc2ccccc21.
What is the InChIKey of 5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene?
The InChIKey is LMIBCHUXLCWOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN2P/c20-19-17-13-7-8-14-18(17)21-23(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene?
5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene has a molecular weight of 336.76 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,3-diphenyl-2,4-diaza-3λ5-phosphabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaene is sourced from PubChem (CID 134869959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).