1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine

C37H36N2 — CID 145488846

IUPAC1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine
SMILESCNc1ccc2ccccc2c1C(C)(C/C=C/C=C/Nc1ccccc1)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C37H36N2/c1-37(26-12-5-13-27-39-33-17-8-4-9-18-33,36-34-19-11-10-16-32(34)24-25-35(36)38-2)28-29-20-22-31(23-21-29)30-14-6-3-7-15-30/h3-25,27,38-39H,26,28H2,1-2H3/b12-5+,27-13+
InChIKeyWILVWUMTIQUBKZ-QIUYEQRTSA-N
MW508.71 g/mol
LogP9.62
Rot. Bonds10

About 1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine

1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine (PubChem CID 145488846) has the molecular formula C37H36N2 and a molecular weight of 508.71 g/mol. Its IUPAC name is 1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine.

Molecular Properties

Compound Name1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine
PubChem CID145488846
Molecular FormulaC37H36N2
Molecular Weight508.71 g/mol
Exact Mass508.29
IUPAC Name1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine
SMILESCNc1ccc2ccccc2c1C(C)(C/C=C/C=C/Nc1ccccc1)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C37H36N2/c1-37(26-12-5-13-27-39-33-17-8-4-9-18-33,36-34-19-11-10-16-32(34)24-25-35(36)38-2)28-29-20-22-31(23-21-29)30-14-6-3-7-15-30/h3-25,27,38-39H,26,28H2,1-2H3/b12-5+,27-13+
InChIKeyWILVWUMTIQUBKZ-QIUYEQRTSA-N
XLogP9.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 59.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4E,6E)-7-anilino-2-methyl-1-phenylhepta-4,6-dien-2-yl]-N-propylnaphthalen-2-amine
CID 145488822
N-methyl-1-[(E)-2-methyl-1,5-diphenylpent-4-en-2-yl]naphthalen-2-amine
CID 143655801
2-[4-[2-methyl-2-[2-(methylamino)naphthalen-1-yl]butyl]phenyl]benzonitrile
CID 145488850
1-(2-methyl-1-phenylbutan-2-yl)-N-propylnaphthalen-2-amine
CID 145488877
3-[[1-(2-methyl-1-phenylbutan-2-yl)naphthalen-2-yl]amino]propanal
CID 143968265
1-[(1E)-4,7-dimethyl-1-thiophen-2-ylocta-1,6-dien-4-yl]-N-methylnaphthalen-2-amine
CID 143792769
N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride
CID 156769012
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 23381564
N-methyl-1-[(1E)-3-methylidene-1-phenyl-4-prop-2-enylhepta-1,6-dien-4-yl]naphthalen-2-amine
CID 143792896
N,N'-diphenylhexa-1,3,5-triene-1,6-diamine;hydrochloride
CID 75086588
1-benzyl-N-methylnaphthalen-2-amine
CID 174703862

Frequently Asked Questions

What is the IUPAC name of 1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine?
The IUPAC name of 1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine (CID 145488846) is 1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine.
What is the SMILES notation for 1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine?
The canonical SMILES for 1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine is CNc1ccc2ccccc2c1C(C)(C/C=C/C=C/Nc1ccccc1)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine?
The InChIKey is WILVWUMTIQUBKZ-QIUYEQRTSA-N. The full InChI is InChI=1S/C37H36N2/c1-37(26-12-5-13-27-39-33-17-8-4-9-18-33,36-34-19-11-10-16-32(34)24-25-35(36)38-2)28-29-20-22-31(23-21-29)30-14-6-3-7-15-30/h3-25,27,38-39H,26,28H2,1-2H3/b12-5+,27-13+.
What are the key properties of 1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine?
1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine has a molecular weight of 508.71 g/mol, XLogP of 9.62, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E,6E)-7-anilino-2-methyl-1-(4-phenylphenyl)hepta-4,6-dien-2-yl]-N-methylnaphthalen-2-amine is sourced from PubChem (CID 145488846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).