4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine

C97H91F7N4O — CID 162202126

IUPAC4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine
SMILESFC(F)(F)Oc1cccc(CNCCC=C(c2ccccc2)c2ccccc2)c1.FC(F)(F)c1ccc(CNCCC=C(c2ccccc2)c2ccccc2)cc1.Fc1ccc(CNCCC=C(c2ccccc2)c2ccccc2)cc1.N#Cc1ccc(CCCCCC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H25N.C24H22F3NO.C24H22F3N.C23H22FN/c27-21-23-19-17-22(18-20-23)11-5-1-2-10-16-26(24-12-6-3-7-13-24)25-14-8-4-9-15-25;25-24(26,27)29-22-14-7-9-19(17-22)18-28-16-8-15-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21;25-24(26,27)22-15-13-19(14-16-22)18-28-17-7-12-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21;24-22-15-13-19(14-16-22)18-25-17-7-12-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h3-4,6-9,12-20H,1-2,5,10-11H2;1-7,9-15,17,28H,8,16,18H2;1-6,8-16,28H,7,17-18H2;1-6,8-16,25H,7,17-18H2
InChIKeyZRSLFUHBWJVICB-UHFFFAOYSA-N
MW1461.81 g/mol
LogP24.74
Rot. Bonds30

About 4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine

4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine (PubChem CID 162202126) has the molecular formula C97H91F7N4O and a molecular weight of 1461.81 g/mol. Its IUPAC name is 4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine.

Molecular Properties

Compound Name4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine
PubChem CID162202126
Molecular FormulaC97H91F7N4O
Molecular Weight1461.81 g/mol
Exact Mass1460.71
IUPAC Name4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine
SMILESFC(F)(F)Oc1cccc(CNCCC=C(c2ccccc2)c2ccccc2)c1.FC(F)(F)c1ccc(CNCCC=C(c2ccccc2)c2ccccc2)cc1.Fc1ccc(CNCCC=C(c2ccccc2)c2ccccc2)cc1.N#Cc1ccc(CCCCCC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H25N.C24H22F3NO.C24H22F3N.C23H22FN/c27-21-23-19-17-22(18-20-23)11-5-1-2-10-16-26(24-12-6-3-7-13-24)25-14-8-4-9-15-25;25-24(26,27)29-22-14-7-9-19(17-22)18-28-16-8-15-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21;25-24(26,27)22-15-13-19(14-16-22)18-28-17-7-12-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21;24-22-15-13-19(14-16-22)18-25-17-7-12-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h3-4,6-9,12-20H,1-2,5,10-11H2;1-7,9-15,17,28H,8,16,18H2;1-6,8-16,28H,7,17-18H2;1-6,8-16,25H,7,17-18H2
InChIKeyZRSLFUHBWJVICB-UHFFFAOYSA-N
XLogP24.74
TPSA69.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001461.81
LogP ≤ 524.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-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-[(3-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine;hydrochloride
CID 67608371
N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 24754485
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302851
2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837
3-(4-cyanophenyl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38034874
N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199
4-(8-phenyloctyl)benzonitrile
CID 21257462
4-[2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 141324914
1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 55464693
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
1-(4-phenoxybutyl)-4-(trifluoromethyl)benzene
CID 91038022
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-2-ol
CID 107267934

Frequently Asked Questions

What is the IUPAC name of 4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine?
The IUPAC name of 4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine (CID 162202126) is 4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine.
What is the SMILES notation for 4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine?
The canonical SMILES for 4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine is FC(F)(F)Oc1cccc(CNCCC=C(c2ccccc2)c2ccccc2)c1.FC(F)(F)c1ccc(CNCCC=C(c2ccccc2)c2ccccc2)cc1.Fc1ccc(CNCCC=C(c2ccccc2)c2ccccc2)cc1.N#Cc1ccc(CCCCCC=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine?
The InChIKey is ZRSLFUHBWJVICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N.C24H22F3NO.C24H22F3N.C23H22FN/c27-21-23-19-17-22(18-20-23)11-5-1-2-10-16-26(24-12-6-3-7-13-24)25-14-8-4-9-15-25;25-24(26,27)29-22-14-7-9-19(17-22)18-28-16-8-15-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21;25-24(26,27)22-15-13-19(14-16-22)18-28-17-7-12-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21;24-22-15-13-19(14-16-22)18-25-17-7-12-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h3-4,6-9,12-20H,1-2,5,10-11H2;1-7,9-15,17,28H,8,16,18H2;1-6,8-16,28H,7,17-18H2;1-6,8-16,25H,7,17-18H2.
What are the key properties of 4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine?
4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine has a molecular weight of 1461.81 g/mol, XLogP of 24.74, 30 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-diphenylhept-6-enyl)benzonitrile;4,4-diphenyl-N-[[3-(trifluoromethoxy)phenyl]methyl]but-3-en-1-amine;4,4-diphenyl-N-[[4-(trifluoromethyl)phenyl]methyl]but-3-en-1-amine;N-[(4-fluorophenyl)methyl]-4,4-diphenylbut-3-en-1-amine is sourced from PubChem (CID 162202126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).