N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine

C45H38N2 — CID 89067843

IUPACN-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCc1cccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C45H38N2/c1-33-10-9-15-43(29-33)47(45-30-34(2)28-35(3)31-45)42-25-20-37(21-26-42)17-16-36-18-23-41(24-19-36)46(40-13-5-4-6-14-40)44-27-22-38-11-7-8-12-39(38)32-44/h4-32H,1-3H3/b17-16+
InChIKeyUSZGWIGKICXZRU-WUKNDPDISA-N
MW606.81 g/mol
LogP12.88
Rot. Bonds8

About N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 89067843) has the molecular formula C45H38N2 and a molecular weight of 606.81 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID89067843
Molecular FormulaC45H38N2
Molecular Weight606.81 g/mol
Exact Mass606.30
IUPAC NameN-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCc1cccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C45H38N2/c1-33-10-9-15-43(29-33)47(45-30-34(2)28-35(3)31-45)42-25-20-37(21-26-42)17-16-36-18-23-41(24-19-36)46(40-13-5-4-6-14-40)44-27-22-38-11-7-8-12-39(38)32-44/h4-32H,1-3H3/b17-16+
InChIKeyUSZGWIGKICXZRU-WUKNDPDISA-N
XLogP12.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.81
LogP ≤ 512.88
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-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91011081
3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
CID 59938925
3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89067686
N-(3,5-dimethylphenyl)-N-[4-[4-[2-(4-propan-2-ylphenyl)ethenyl]phenyl]phenyl]naphthalen-2-amine
CID 90936439
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 91343059
N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline
CID 90921715
N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 91323757
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 89067843) is N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine is Cc1cccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is USZGWIGKICXZRU-WUKNDPDISA-N. The full InChI is InChI=1S/C45H38N2/c1-33-10-9-15-43(29-33)47(45-30-34(2)28-35(3)31-45)42-25-20-37(21-26-42)17-16-36-18-23-41(24-19-36)46(40-13-5-4-6-14-40)44-27-22-38-11-7-8-12-39(38)32-44/h4-32H,1-3H3/b17-16+.
What are the key properties of N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 606.81 g/mol, XLogP of 12.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 89067843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).