6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile

C46H33ClN4P2 — CID 11388552

IUPAC6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile
SMILESN#Cc1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nc2ccc(Cl)cc2c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H33ClN4P2/c47-35-31-32-44-42(33-35)45(50-52(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38)43(34-48)46(49-44)51-53(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-33H
InChIKeyOZODFTJLKAMRIR-UHFFFAOYSA-N
MW739.20 g/mol
LogP10.38
Rot. Bonds8

About 6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile

6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile (PubChem CID 11388552) has the molecular formula C46H33ClN4P2 and a molecular weight of 739.20 g/mol. Its IUPAC name is 6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile
PubChem CID11388552
Molecular FormulaC46H33ClN4P2
Molecular Weight739.20 g/mol
Exact Mass738.19
IUPAC Name6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile
SMILESN#Cc1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nc2ccc(Cl)cc2c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C46H33ClN4P2/c47-35-31-32-44-42(33-35)45(50-52(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38)43(34-48)46(49-44)51-53(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-33H
InChIKeyOZODFTJLKAMRIR-UHFFFAOYSA-N
XLogP10.38
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.20
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-difluoro-4,6-bis[(triphenyl-lambda5-phosphanylidene)amino]benzene-1,3-dicarbonitrile
CID 15802022
6-chlorofuro[2,3-b]quinoline-4-carbonitrile
CID 86170575
2-phenyl-1,3-bis[(triphenyl-lambda5-phosphanylidene)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 14221177
4-amino-6-chloroquinoline-2-carbonitrile
CID 84620141
2,4-diazidoquinoline-3-carbonitrile
CID 10657437
2-[(triphenyl-λ5-phosphanylidene)amino]benzonitrile
CID 4918351
5-chloro-2-phenyl-1H-indole-3-carbonitrile
CID 22083583
6-chloro-4-(3-chlorophenyl)-2-pentan-3-ylquinoline-3-carbonitrile
CID 86683066
6-chloro-2-(2-methylpyrrolidin-1-yl)-4-phenylquinoline-3-carbonitrile
CID 86682991
2-benzoyl-5-chloro-1-hydroxyindole-3-carbonitrile
CID 19895716
3-(9-chlorophenanthridin-6-yl)propanenitrile
CID 90817000
3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide
CID 133304285

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile (CID 11388552) is 6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile is N#Cc1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nc2ccc(Cl)cc2c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile?
The InChIKey is OZODFTJLKAMRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33ClN4P2/c47-35-31-32-44-42(33-35)45(50-52(36-19-7-1-8-20-36,37-21-9-2-10-22-37)38-23-11-3-12-24-38)43(34-48)46(49-44)51-53(39-25-13-4-14-26-39,40-27-15-5-16-28-40)41-29-17-6-18-30-41/h1-33H.
What are the key properties of 6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile?
6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile has a molecular weight of 739.20 g/mol, XLogP of 10.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,4-bis[(triphenyl-λ5-phosphanylidene)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 11388552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).