4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile

C49H35N3 — CID 90837425

IUPAC4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile
SMILESN#Cc1ccc(N(c2ccc(-c3ccc(C=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C49H35N3/c50-36-39-21-30-47(31-22-39)52(49-34-27-40-9-7-8-10-43(40)35-49)48-32-25-42(26-33-48)41-23-17-37(18-24-41)15-16-38-19-28-46(29-20-38)51(44-11-3-1-4-12-44)45-13-5-2-6-14-45/h1-35H
InChIKeyCBDLXNMDVDMRPX-UHFFFAOYSA-N
MW665.84 g/mol
LogP13.49
Rot. Bonds9

About 4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile

4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile (PubChem CID 90837425) has the molecular formula C49H35N3 and a molecular weight of 665.84 g/mol. Its IUPAC name is 4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile.

Molecular Properties

Compound Name4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile
PubChem CID90837425
Molecular FormulaC49H35N3
Molecular Weight665.84 g/mol
Exact Mass665.28
IUPAC Name4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile
SMILESN#Cc1ccc(N(c2ccc(-c3ccc(C=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C49H35N3/c50-36-39-21-30-47(31-22-39)52(49-34-27-40-9-7-8-10-43(40)35-49)48-32-25-42(26-33-48)41-23-17-37(18-24-41)15-16-38-19-28-46(29-20-38)51(44-11-3-1-4-12-44)45-13-5-2-6-14-45/h1-35H
InChIKeyCBDLXNMDVDMRPX-UHFFFAOYSA-N
XLogP13.49
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.84
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile 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

N-naphthalen-2-yl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91472292
N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 89067663
4-[[6-[(E)-2-[6-(4-isocyano-N-naphthalen-2-ylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-yl]-naphthalen-2-ylamino]benzonitrile
CID 140926325
N,N-diphenyl-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 72565650
4-[6-(N-naphthalen-2-ylanilino)-10-phenyl-2-(N-phenylanilino)anthracen-9-yl]benzonitrile
CID 89061094
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91011081
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-N-naphthalen-2-ylanilino]benzonitrile
CID 90336290
9,10-dinaphthalen-2-ylanthracene;N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 162261204

Frequently Asked Questions

What is the IUPAC name of 4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile?
The IUPAC name of 4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile (CID 90837425) is 4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile.
What is the SMILES notation for 4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile?
The canonical SMILES for 4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile is N#Cc1ccc(N(c2ccc(-c3ccc(C=Cc4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile?
The InChIKey is CBDLXNMDVDMRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3/c50-36-39-21-30-47(31-22-39)52(49-34-27-40-9-7-8-10-43(40)35-49)48-32-25-42(26-33-48)41-23-17-37(18-24-41)15-16-38-19-28-46(29-20-38)51(44-11-3-1-4-12-44)45-13-5-2-6-14-45/h1-35H.
What are the key properties of 4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile?
4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile has a molecular weight of 665.84 g/mol, XLogP of 13.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile is sourced from PubChem (CID 90837425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).