3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile

C41H27N3 — CID 153112763

IUPAC3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile
SMILESCc1ccc2c(C#N)c(C#N)c3ccc(/C=C\c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc3c2c1
InChIInChI=1S/C41H27N3/c1-28-11-21-36-38(23-28)39-24-30(16-22-37(39)41(27-43)40(36)26-42)13-12-29-14-18-34(19-15-29)44(33-9-3-2-4-10-33)35-20-17-31-7-5-6-8-32(31)25-35/h2-25H,1H3/b13-12-
InChIKeyVTGGXJCHUOULMC-SEYXRHQNSA-N
MW561.69 g/mol
LogP10.84
Rot. Bonds5

About 3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile

3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile (PubChem CID 153112763) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile.

Molecular Properties

Compound Name3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile
PubChem CID153112763
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile
SMILESCc1ccc2c(C#N)c(C#N)c3ccc(/C=C\c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc3c2c1
InChIInChI=1S/C41H27N3/c1-28-11-21-36-38(23-28)39-24-30(16-22-37(39)41(27-43)40(36)26-42)13-12-29-14-18-34(19-15-29)44(33-9-3-2-4-10-33)35-20-17-31-7-5-6-8-32(31)25-35/h2-25H,1H3/b13-12-
InChIKeyVTGGXJCHUOULMC-SEYXRHQNSA-N
XLogP10.84
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-methyl-3-[2-[4-(N-phenylanilino)phenyl]ethenyl]anthracene-9-carbonitrile
CID 89242594
10-isocyano-6-[(Z)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]-2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9-carbonitrile
CID 152931875
N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 89067843
9,10-dimethyl-N-(4-methylphenyl)-6-[(E)-2-(4-methylphenyl)ethenyl]-N-phenylphenanthren-3-amine
CID 59575076
N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91011081
4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile
CID 90837425
N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89074801
N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91294217
3-[2-[4-(4-methyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]-6-(2-methylpropyl)phenanthrene-9,10-dicarbonitrile
CID 58389753
N-naphthalen-2-yl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91472292

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile?
The IUPAC name of 3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile (CID 153112763) is 3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile.
What is the SMILES notation for 3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile?
The canonical SMILES for 3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile is Cc1ccc2c(C#N)c(C#N)c3ccc(/C=C\c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4)cc3c2c1.
What is the InChIKey of 3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile?
The InChIKey is VTGGXJCHUOULMC-SEYXRHQNSA-N. The full InChI is InChI=1S/C41H27N3/c1-28-11-21-36-38(23-28)39-24-30(16-22-37(39)41(27-43)40(36)26-42)13-12-29-14-18-34(19-15-29)44(33-9-3-2-4-10-33)35-20-17-31-7-5-6-8-32(31)25-35/h2-25H,1H3/b13-12-.
What are the key properties of 3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile?
3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile has a molecular weight of 561.69 g/mol, XLogP of 10.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(Z)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenanthrene-9,10-dicarbonitrile is sourced from PubChem (CID 153112763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).