[4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium

C32H26N3+ — CID 143684762

IUPAC[4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium
SMILESCN(c1ccc([NH+](c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1)c1cccc(C#N)c1
InChIInChI=1S/C32H25N3/c1-34(32-14-8-9-25(23-32)24-33)28-19-21-31(22-20-28)35(29-12-6-3-7-13-29)30-17-15-27(16-18-30)26-10-4-2-5-11-26/h2-23H,1H3/p+1
InChIKeyAJWGRHGBRCLMQJ-UHFFFAOYSA-O
MW452.58 g/mol
LogP7.17
Rot. Bonds6

About [4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium

[4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium (PubChem CID 143684762) has the molecular formula C32H26N3+ and a molecular weight of 452.58 g/mol. Its IUPAC name is [4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium.

Molecular Properties

Compound Name[4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium
PubChem CID143684762
Molecular FormulaC32H26N3+
Molecular Weight452.58 g/mol
Exact Mass452.21
IUPAC Name[4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium
SMILESCN(c1ccc([NH+](c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1)c1cccc(C#N)c1
InChIInChI=1S/C32H25N3/c1-34(32-14-8-9-25(23-32)24-33)28-19-21-31(22-20-28)35(29-12-6-3-7-13-29)30-17-15-27(16-18-30)26-10-4-2-5-11-26/h2-23H,1H3/p+1
InChIKeyAJWGRHGBRCLMQJ-UHFFFAOYSA-O
XLogP7.17
TPSA31.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-methylanilino)phenyl]phenyl]-N,3-diphenylaniline;3-[N-methyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]anilino]benzonitrile
CID 158146375
3-[N-methyl-4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]anilino]benzonitrile
CID 59431954
3-[N-methyl-4-(N-(3-phenylphenyl)anilino)anilino]benzonitrile;4-[N-methyl-4-(N-(3-phenylphenyl)anilino)anilino]benzonitrile
CID 158019618
3-[4-[4-(N-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-phenylanilino)phenyl]-N-methylanilino]benzonitrile
CID 143685353
3-[N-methyl-4-(N-(4-methylphenyl)anilino)anilino]benzonitrile;4-[N-methyl-4-(N-(4-methylphenyl)anilino)anilino]benzonitrile;1-N-methyl-4-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158097800
3-(4-fluoro-N-methylanilino)benzonitrile
CID 102816079
N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-methylnaphthalen-1-amine;N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;3-[N-methyl-4-[4-(N-(3-phenylphenyl)anilino)phenyl]anilino]benzonitrile
CID 159177333
3-(4-ethyl-N-methylanilino)benzonitrile
CID 102816090
3-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;4-[N-methyl-4-(N-naphthalen-1-yl-4-phenylanilino)anilino]benzonitrile;1-N-methyl-4-N-naphthalen-2-yl-1-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 161201075
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
3-[4-(hydroxymethyl)-N-methylanilino]benzonitrile
CID 62982382

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium?
The IUPAC name of [4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium (CID 143684762) is [4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium.
What is the SMILES notation for [4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium?
The canonical SMILES for [4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium is CN(c1ccc([NH+](c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1)c1cccc(C#N)c1.
What is the InChIKey of [4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium?
The InChIKey is AJWGRHGBRCLMQJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H25N3/c1-34(32-14-8-9-25(23-32)24-33)28-19-21-31(22-20-28)35(29-12-6-3-7-13-29)30-17-15-27(16-18-30)26-10-4-2-5-11-26/h2-23H,1H3/p+1.
What are the key properties of [4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium?
[4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium has a molecular weight of 452.58 g/mol, XLogP of 7.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyano-N-methylanilino)phenyl]-phenyl-(4-phenylphenyl)azanium is sourced from PubChem (CID 143684762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).