1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine

C70H83N — CID 142394504

IUPAC1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine
SMILESC/C(=N\C(C)C)c1ccccc1-c1ccccc1.CC.CCC(C)c1ccc(-c2cccc(-c3ccccc3)c2)cc1.Cc1ccccc1-c1ccc(C2CCC=CC2[C@@H](C)C2=CCCCC2)c(C)c1C
InChIInChI=1S/C29H36.C22H22.C17H19N.C2H6/c1-20-12-8-9-15-25(20)27-18-19-28(22(3)21(27)2)29-17-11-10-16-26(29)23(4)24-13-6-5-7-14-24;1-3-17(2)18-12-14-20(15-13-18)22-11-7-10-21(16-22)19-8-5-4-6-9-19;1-13(2)18-14(3)16-11-7-8-12-17(16)15-9-5-4-6-10-15;1-2/h8-10,12-13,15-16,18-19,23,26,29H,5-7,11,14,17H2,1-4H3;4-17H,3H2,1-2H3;4-13H,1-3H3;1-2H3/b;;18-14+;/t23-,26?,29?;;;/m0.../s1
InChIKeyCRYWVQBURVEHQH-YTWVJIOISA-N
MW938.44 g/mol
LogP20.60
Rot. Bonds11

About 1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine

1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine (PubChem CID 142394504) has the molecular formula C70H83N and a molecular weight of 938.44 g/mol. Its IUPAC name is 1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine.

Molecular Properties

Compound Name1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine
PubChem CID142394504
Molecular FormulaC70H83N
Molecular Weight938.44 g/mol
Exact Mass937.65
IUPAC Name1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine
SMILESC/C(=N\C(C)C)c1ccccc1-c1ccccc1.CC.CCC(C)c1ccc(-c2cccc(-c3ccccc3)c2)cc1.Cc1ccccc1-c1ccc(C2CCC=CC2[C@@H](C)C2=CCCCC2)c(C)c1C
InChIInChI=1S/C29H36.C22H22.C17H19N.C2H6/c1-20-12-8-9-15-25(20)27-18-19-28(22(3)21(27)2)29-17-11-10-16-26(29)23(4)24-13-6-5-7-14-24;1-3-17(2)18-12-14-20(15-13-18)22-11-7-10-21(16-22)19-8-5-4-6-9-19;1-13(2)18-14(3)16-11-7-8-12-17(16)15-9-5-4-6-10-15;1-2/h8-10,12-13,15-16,18-19,23,26,29H,5-7,11,14,17H2,1-4H3;4-17H,3H2,1-2H3;4-13H,1-3H3;1-2H3/b;;18-14+;/t23-,26?,29?;;;/m0.../s1
InChIKeyCRYWVQBURVEHQH-YTWVJIOISA-N
XLogP20.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.44
LogP ≤ 520.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine 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

(4-Methyl-1-naphthyl)(2-(1-naphthylmethyl)phenyl)methanimine
CID 418281
(Z,4R)-4-(3,4-dimethylphenyl)-N-[(E)-[(4R)-4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine
CID 5771608
(4-Methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride
CID 5351941
(Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine
CID 54609936
2,3,4,5,6-pentakis-phenyl-3H-azepine
CID 317176
2,4-dimethyl-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614091
3-methyl-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614103
acetylene;ethane;ethene;(3Z)-3-[1-[2-(6-ethyldec-1-en-2-yl)-4-propylphenyl]propan-2-ylidene]-1,1,1-trifluoro-N-methylhexan-2-imine;1-methyl-2-(4-prop-2-enylphenyl)benzene
CID 143223409
2-[4-[(Z)-1,3-bis(4-methylphenyl)prop-1-enyl]phenyl]-N-methyl-1,3-bis[6-(trifluoromethyl)naphthalen-2-yl]but-3-en-1-imine
CID 156078049
6-[4-[2-[2-Fluoro-3-[2-[4-(2,3,4,5-tetrahydropyridin-6-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-2,3,4,5-tetrahydropyridine
CID 161145186
6-ethyl-5-(4-fluorophenyl)-2-[3-(4-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)phenyl]-3-methyl-7-phenyl-3,4,5,6-tetrahydro-2H-azepine
CID 167230058
N-[(Z)-2-(benzhydrylideneamino)-1,2-bis(2,4,6-trimethylphenyl)ethenyl]-1,1-diphenylmethanimine
CID 11444975

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine?
The IUPAC name of 1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine (CID 142394504) is 1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine.
What is the SMILES notation for 1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine?
The canonical SMILES for 1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine is C/C(=N\C(C)C)c1ccccc1-c1ccccc1.CC.CCC(C)c1ccc(-c2cccc(-c3ccccc3)c2)cc1.Cc1ccccc1-c1ccc(C2CCC=CC2[C@@H](C)C2=CCCCC2)c(C)c1C.
What is the InChIKey of 1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine?
The InChIKey is CRYWVQBURVEHQH-YTWVJIOISA-N. The full InChI is InChI=1S/C29H36.C22H22.C17H19N.C2H6/c1-20-12-8-9-15-25(20)27-18-19-28(22(3)21(27)2)29-17-11-10-16-26(29)23(4)24-13-6-5-7-14-24;1-3-17(2)18-12-14-20(15-13-18)22-11-7-10-21(16-22)19-8-5-4-6-9-19;1-13(2)18-14(3)16-11-7-8-12-17(16)15-9-5-4-6-10-15;1-2/h8-10,12-13,15-16,18-19,23,26,29H,5-7,11,14,17H2,1-4H3;4-17H,3H2,1-2H3;4-13H,1-3H3;1-2H3/b;;18-14+;/t23-,26?,29?;;;/m0.../s1.
What are the key properties of 1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine?
1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine has a molecular weight of 938.44 g/mol, XLogP of 20.60, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(3-phenylphenyl)benzene;1-[2-[(1R)-1-(cyclohexen-1-yl)ethyl]cyclohex-3-en-1-yl]-2,3-dimethyl-4-(2-methylphenyl)benzene;ethane;1-(2-phenylphenyl)-N-propan-2-ylethanimine is sourced from PubChem (CID 142394504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).