4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile

C36H25N3 — CID 118297472

IUPAC4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile
SMILESN#Cc1ccc(N)cc1-c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C36H25N3/c37-24-31-19-20-33(38)23-34(31)28-15-17-30(18-16-28)36-22-32(21-35(39-36)29-9-5-2-6-10-29)27-13-11-26(12-14-27)25-7-3-1-4-8-25/h1-23H,38H2
InChIKeyKYVTWOUQWAKKGH-UHFFFAOYSA-N
MW499.62 g/mol
LogP8.87
Rot. Bonds5

About 4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile

4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile (PubChem CID 118297472) has the molecular formula C36H25N3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile
PubChem CID118297472
Molecular FormulaC36H25N3
Molecular Weight499.62 g/mol
Exact Mass499.20
IUPAC Name4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile
SMILESN#Cc1ccc(N)cc1-c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C36H25N3/c37-24-31-19-20-33(38)23-34(31)28-15-17-30(18-16-28)36-22-32(21-35(39-36)29-9-5-2-6-10-29)27-13-11-26(12-14-27)25-7-3-1-4-8-25/h1-23H,38H2
InChIKeyKYVTWOUQWAKKGH-UHFFFAOYSA-N
XLogP8.87
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 58.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-phenyl-2-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]benzonitrile
CID 168836971
2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile
CID 100933714
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline
CID 86022231
3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline
CID 143332124
4-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 146653688
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile?
The IUPAC name of 4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile (CID 118297472) is 4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile.
What is the SMILES notation for 4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile?
The canonical SMILES for 4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile is N#Cc1ccc(N)cc1-c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile?
The InChIKey is KYVTWOUQWAKKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3/c37-24-31-19-20-33(38)23-34(31)28-15-17-30(18-16-28)36-22-32(21-35(39-36)29-9-5-2-6-10-29)27-13-11-26(12-14-27)25-7-3-1-4-8-25/h1-23H,38H2.
What are the key properties of 4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile?
4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile has a molecular weight of 499.62 g/mol, XLogP of 8.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile is sourced from PubChem (CID 118297472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).