N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine

C43H34N2 — CID 91294217

IUPACN-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
SMILESCc1ccccc1N(c1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C43H34N2/c1-33-12-8-11-19-43(33)45(42-31-26-36-13-9-10-14-37(36)32-42)41-29-24-35(25-30-41)21-20-34-22-27-40(28-23-34)44(38-15-4-2-5-16-38)39-17-6-3-7-18-39/h2-32H,1H3
InChIKeyYNMCVCYAPVGLBM-UHFFFAOYSA-N
MW578.76 g/mol
LogP12.26
Rot. Bonds8

About N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine

N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine (PubChem CID 91294217) has the molecular formula C43H34N2 and a molecular weight of 578.76 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
PubChem CID91294217
Molecular FormulaC43H34N2
Molecular Weight578.76 g/mol
Exact Mass578.27
IUPAC NameN-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
SMILESCc1ccccc1N(c1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C43H34N2/c1-33-12-8-11-19-43(33)45(42-31-26-36-13-9-10-14-37(36)32-42)41-29-24-35(25-30-41)21-20-34-22-27-40(28-23-34)44(38-15-4-2-5-16-38)39-17-6-3-7-18-39/h2-32H,1H3
InChIKeyYNMCVCYAPVGLBM-UHFFFAOYSA-N
XLogP12.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89074801
2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 89074819
2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 91550926
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
N-[4-[2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylphenanthren-9-amine
CID 91078123
N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline
CID 91106273
N-naphthalen-2-yl-N-[4-[(E)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenyl]phenanthren-9-amine
CID 89067533
N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 89067843
N-[4-[2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91122329
N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91011081
N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 59933553

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine?
The IUPAC name of N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine (CID 91294217) is N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine is Cc1ccccc1N(c1ccc(C=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine?
The InChIKey is YNMCVCYAPVGLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2/c1-33-12-8-11-19-43(33)45(42-31-26-36-13-9-10-14-37(36)32-42)41-29-24-35(25-30-41)21-20-34-22-27-40(28-23-34)44(38-15-4-2-5-16-38)39-17-6-3-7-18-39/h2-32H,1H3.
What are the key properties of N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine?
N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine has a molecular weight of 578.76 g/mol, XLogP of 12.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 91294217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).