N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine

C46H36N2 — CID 145410466

IUPACN-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine
SMILESC1=CC(N(c2ccccc2)c2ccc3cc(/C=C/c4ccc5cc(N(c6ccccc6)c6ccccc6)ccc5c4)ccc3c2)=CCC1
InChIInChI=1S/C46H36N2/c1-5-13-41(14-6-1)47(42-15-7-2-8-16-42)45-29-27-37-31-35(23-25-39(37)33-45)21-22-36-24-26-40-34-46(30-28-38(40)32-36)48(43-17-9-3-10-18-43)44-19-11-4-12-20-44/h1-3,5-11,13-34H,4,12H2/b22-21+
InChIKeyHNVPLSLHMYLWSH-QURGRASLSA-N
MW616.81 g/mol
LogP13.01
Rot. Bonds8

About N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine

N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine (PubChem CID 145410466) has the molecular formula C46H36N2 and a molecular weight of 616.81 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine
PubChem CID145410466
Molecular FormulaC46H36N2
Molecular Weight616.81 g/mol
Exact Mass616.29
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine
SMILESC1=CC(N(c2ccccc2)c2ccc3cc(/C=C/c4ccc5cc(N(c6ccccc6)c6ccccc6)ccc5c4)ccc3c2)=CCC1
InChIInChI=1S/C46H36N2/c1-5-13-41(14-6-1)47(42-15-7-2-8-16-42)45-29-27-37-31-35(23-25-39(37)33-45)21-22-36-24-26-40-34-46(30-28-38(40)32-36)48(43-17-9-3-10-18-43)44-19-11-4-12-20-44/h1-3,5-11,13-34H,4,12H2/b22-21+
InChIKeyHNVPLSLHMYLWSH-QURGRASLSA-N
XLogP13.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.81
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine 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-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[N-(7,8-dihydronaphthalen-2-yl)anilino]phenyl]-1-N-naphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 89189824
1-N-cyclohexa-1,5-dien-1-yl-4-N-[4-[N-(5,6-dihydronaphthalen-2-yl)anilino]phenyl]-1-N-naphthalen-2-yl-4-N-[4-(N-naphthalen-2-ylanilino)phenyl]benzene-1,4-diamine
CID 167036999
N,N-diphenyl-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 72565650
6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 58667641
1-N-cyclohexa-1,5-dien-1-yl-4-N-[5,8-diphenyl-6,7-bis[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]naphthalen-2-yl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163885983
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
N-(5,6-dihydronaphthalen-2-yl)-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 89061076
1-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-diphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]benzene-1,4-diamine
CID 71017943
4-N-[4-[2-[6-[2-[4-(N-[4-(dimethylamino)phenyl]anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-diamine
CID 59923921
N-cyclohexa-1,5-dien-1-yl-7-[(E)-2-[6-(6,7-diphenylnaphthalen-2-yl)naphthalen-2-yl]ethenyl]-N-phenylspiro[5,6-dihydrofluorene-9,1'-cyclohexane]-2-amine
CID 89066714

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine (CID 145410466) is N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine is C1=CC(N(c2ccccc2)c2ccc3cc(/C=C/c4ccc5cc(N(c6ccccc6)c6ccccc6)ccc5c4)ccc3c2)=CCC1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine?
The InChIKey is HNVPLSLHMYLWSH-QURGRASLSA-N. The full InChI is InChI=1S/C46H36N2/c1-5-13-41(14-6-1)47(42-15-7-2-8-16-42)45-29-27-37-31-35(23-25-39(37)33-45)21-22-36-24-26-40-34-46(30-28-38(40)32-36)48(43-17-9-3-10-18-43)44-19-11-4-12-20-44/h1-3,5-11,13-34H,4,12H2/b22-21+.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine?
N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine has a molecular weight of 616.81 g/mol, XLogP of 13.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine is sourced from PubChem (CID 145410466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).