N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine

C39H31N — CID 121323870

IUPACN-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine
SMILESCc1cccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(C=Cc3ccccc3)c3ccccc23)c1
InChIInChI=1S/C39H31N/c1-30-14-13-21-35(28-30)40(29-38(32-17-7-3-8-18-32)33-19-9-4-10-20-33)39-27-26-34(36-22-11-12-23-37(36)39)25-24-31-15-5-2-6-16-31/h2-29H,1H3
InChIKeyPVOLXRPMXGGBOB-UHFFFAOYSA-N
MW513.68 g/mol
LogP10.55
Rot. Bonds7

About N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine

N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine (PubChem CID 121323870) has the molecular formula C39H31N and a molecular weight of 513.68 g/mol. Its IUPAC name is N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine
PubChem CID121323870
Molecular FormulaC39H31N
Molecular Weight513.68 g/mol
Exact Mass513.25
IUPAC NameN-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine
SMILESCc1cccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(C=Cc3ccccc3)c3ccccc23)c1
InChIInChI=1S/C39H31N/c1-30-14-13-21-35(28-30)40(29-38(32-17-7-3-8-18-32)33-19-9-4-10-20-33)39-27-26-34(36-22-11-12-23-37(36)39)25-24-31-15-5-2-6-16-31/h2-29H,1H3
InChIKeyPVOLXRPMXGGBOB-UHFFFAOYSA-N
XLogP10.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-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-(2,2-diphenylethenyl)-4-ethenyl-N-(4-methylphenyl)naphthalen-1-amine
CID 118104132
4-[(1E,3E)-4-[4-[N-(2,2-diphenylethenyl)anilino]phenyl]buta-1,3-dienyl]-N,N-bis(2-methylphenyl)naphthalen-1-amine
CID 122627670
N-[2,2-bis(4-chlorophenyl)ethenyl]-4-(4,4-diphenylbuta-1,3-dienyl)-3-methyl-N-(3-methylphenyl)aniline
CID 59086831
N-[4-[(E)-2-[4-[(E)-2-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethyl-N-(4-methylphenyl)aniline;N-[4-[4-[N-(2,4-dimethylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]anilino]phenyl]phenyl]-2,4-dimethyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]aniline;N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline;2-ethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(2-ethyl-6-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-6-methyl-N-phenylaniline;2-ethyl-N-[4-[4-[N-(2-ethyl-6-methylphenyl)-4-[(E)-2-phenylethenyl]anilino]phenyl]phenyl]-6-methyl-N-[4-[(E)-2-phenylethenyl]phenyl]aniline;4-methyl-N-[4-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline
CID 160974207
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-amine
CID 59412951
N-(2,2-diphenylethenyl)-N-[4-[4-[N-(2,2-diphenylethenyl)-2,4-dimethylanilino]phenyl]phenyl]-2,4-dimethylaniline
CID 59408570
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)naphthalen-1-yl]ethenyl]naphthalen-1-amine
CID 59412956
CID 159252717
CID 159252717
3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline
CID 59920425
N-[4-[2,2-bis(3-methylphenyl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine;N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)anilino]phenyl]-N-phenylaniline;N-(2,2-diphenylethenyl)-N-[4-[1-[4-[N-(2,2-diphenylethenyl)-4-methylanilino]phenyl]cyclohexyl]phenyl]-4-methylaniline;N-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;N-(2,2-diphenylethenyl)-N-[4-[(E)-(diphenylhydrazinylidene)methyl]phenyl]-4-methylaniline;N-(2,2-diphenylethenyl)-N-[4-[(E)-(diphenylhydrazinylidene)methyl]phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine;N-(2,2-diphenylethenyl)-4-methyl-N-(4-methylphenyl)aniline;N-(2,2-diphenylethenyl)-N-(4-methylphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]naphthalen-1-amine;N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 172955329
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 22089651
1-methyl-4-(2-phenylethenyl)naphthalene
CID 4283155

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine?
The IUPAC name of N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine (CID 121323870) is N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine.
What is the SMILES notation for N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine?
The canonical SMILES for N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine is Cc1cccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(C=Cc3ccccc3)c3ccccc23)c1.
What is the InChIKey of N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine?
The InChIKey is PVOLXRPMXGGBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N/c1-30-14-13-21-35(28-30)40(29-38(32-17-7-3-8-18-32)33-19-9-4-10-20-33)39-27-26-34(36-22-11-12-23-37(36)39)25-24-31-15-5-2-6-16-31/h2-29H,1H3.
What are the key properties of N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine?
N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine has a molecular weight of 513.68 g/mol, XLogP of 10.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethenyl)-N-(3-methylphenyl)-4-(2-phenylethenyl)naphthalen-1-amine is sourced from PubChem (CID 121323870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).