3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine

C27H28N2 — CID 164679430

IUPAC3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine
SMILESCC(C)/N=c1/c(-c2ccccc2)c(-c2ccccc2)c2ccccc2n1C(C)C
InChIInChI=1S/C27H28N2/c1-19(2)28-27-26(22-15-9-6-10-16-22)25(21-13-7-5-8-14-21)23-17-11-12-18-24(23)29(27)20(3)4/h5-20H,1-4H3/b28-27-
InChIKeyWMLJRPZCBYUMFP-DQSJHHFOSA-N
MW380.54 g/mol
LogP6.87
Rot. Bonds4

About 3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine

3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine (PubChem CID 164679430) has the molecular formula C27H28N2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine.

Molecular Properties

Compound Name3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine
PubChem CID164679430
Molecular FormulaC27H28N2
Molecular Weight380.54 g/mol
Exact Mass380.23
IUPAC Name3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine
SMILESCC(C)/N=c1/c(-c2ccccc2)c(-c2ccccc2)c2ccccc2n1C(C)C
InChIInChI=1S/C27H28N2/c1-19(2)28-27-26(22-15-9-6-10-16-22)25(21-13-7-5-8-14-21)23-17-11-12-18-24(23)29(27)20(3)4/h5-20H,1-4H3/b28-27-
InChIKeyWMLJRPZCBYUMFP-DQSJHHFOSA-N
XLogP6.87
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine
CID 164679428
9-propan-2-yl-2-(9-propan-2-ylcarbazol-2-yl)carbazole
CID 170205010
2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one
CID 170419866
3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole
CID 18683567
3-(4-fluorophenyl)-1-propan-2-ylindole-2-carboxamide
CID 70002976
N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 14982033
1-methyl-2,3-diphenylindole
CID 11426096
3-(9-phenylcarbazol-2-yl)-9-propan-2-ylcarbazole
CID 134236460
9-(1-phenylethyl)carbazole
CID 154375313
3-fluoro-2-methyl-1-propan-2-ylindole
CID 150270032
ethane;(2Z,4Z)-hexa-2,4-diene;9-propan-2-ylcarbazole
CID 165044718
2-iodo-1-methyl-3-phenylindole
CID 76846489

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine?
The IUPAC name of 3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine (CID 164679430) is 3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine.
What is the SMILES notation for 3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine?
The canonical SMILES for 3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine is CC(C)/N=c1/c(-c2ccccc2)c(-c2ccccc2)c2ccccc2n1C(C)C.
What is the InChIKey of 3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine?
The InChIKey is WMLJRPZCBYUMFP-DQSJHHFOSA-N. The full InChI is InChI=1S/C27H28N2/c1-19(2)28-27-26(22-15-9-6-10-16-22)25(21-13-7-5-8-14-21)23-17-11-12-18-24(23)29(27)20(3)4/h5-20H,1-4H3/b28-27-.
What are the key properties of 3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine?
3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine has a molecular weight of 380.54 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine is sourced from PubChem (CID 164679430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).