10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile

C36H26N2 — CID 89242594

IUPAC10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
SMILESCc1c2ccccc2c(C#N)c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc12
InChIInChI=1S/C36H26N2/c1-26-32-14-8-9-15-33(32)36(25-37)34-23-20-28(24-35(26)34)17-16-27-18-21-31(22-19-27)38(29-10-4-2-5-11-29)30-12-6-3-7-13-30/h2-24H,1H3
InChIKeyXAMPOAHGUMUBDH-UHFFFAOYSA-N
MW486.62 g/mol
LogP9.81
Rot. Bonds5

About 10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile

10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile (PubChem CID 89242594) has the molecular formula C36H26N2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile.

Molecular Properties

Compound Name10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
PubChem CID89242594
Molecular FormulaC36H26N2
Molecular Weight486.62 g/mol
Exact Mass486.21
IUPAC Name10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
SMILESCc1c2ccccc2c(C#N)c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc12
InChIInChI=1S/C36H26N2/c1-26-32-14-8-9-15-33(32)36(25-37)34-23-20-28(24-35(26)34)17-16-27-18-21-31(22-19-27)38(29-10-4-2-5-11-29)30-12-6-3-7-13-30/h2-24H,1H3
InChIKeyXAMPOAHGUMUBDH-UHFFFAOYSA-N
XLogP9.81
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2,6-bis[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile
CID 89372299
3-[(E)-2-(N-phenylanilino)ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile
CID 143438518
10-isocyano-6-[(Z)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9-carbonitrile
CID 152931875
3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile
CID 153112763
9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine
CID 59575076
10-isocyano-2,6-bis[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]anthracene-9-carbonitrile
CID 23576513
2,6-bis[(E)-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]naphthalene-1,5-dicarbonitrile
CID 11297254
2,6-bis[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
CID 23576500
2,6-bis[2-[4-(4-methoxy-N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9,10-dicarbonitrile
CID 89372318
1,2,3,4-tetramethyl-6-(2-phenylethenyl)naphthalene
CID 173240821
10-methylanthracene-9-carbonitrile
CID 12617916
10-isocyano-3-[(E)-2-[4-(4-methyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
CID 20801884

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile?
The IUPAC name of 10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile (CID 89242594) is 10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile.
What is the SMILES notation for 10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile?
The canonical SMILES for 10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile is Cc1c2ccccc2c(C#N)c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc12.
What is the InChIKey of 10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile?
The InChIKey is XAMPOAHGUMUBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2/c1-26-32-14-8-9-15-33(32)36(25-37)34-23-20-28(24-35(26)34)17-16-27-18-21-31(22-19-27)38(29-10-4-2-5-11-29)30-12-6-3-7-13-30/h2-24H,1H3.
What are the key properties of 10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile?
10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile has a molecular weight of 486.62 g/mol, XLogP of 9.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile is sourced from PubChem (CID 89242594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).