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

C27H27BrN2 — CID 164679428

IUPAC6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine
SMILESCC(C)/N=c1/c(-c2ccccc2)c(-c2ccccc2)c2cc(Br)ccc2n1C(C)C
InChIInChI=1S/C27H27BrN2/c1-18(2)29-27-26(21-13-9-6-10-14-21)25(20-11-7-5-8-12-20)23-17-22(28)15-16-24(23)30(27)19(3)4/h5-19H,1-4H3/b29-27-
InChIKeyVMMHCIKGBREETO-OHYPFYFLSA-N
MW459.43 g/mol
LogP7.63
Rot. Bonds4

About 6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine

6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine (PubChem CID 164679428) has the molecular formula C27H27BrN2 and a molecular weight of 459.43 g/mol. Its IUPAC name is 6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine.

Molecular Properties

Compound Name6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine
PubChem CID164679428
Molecular FormulaC27H27BrN2
Molecular Weight459.43 g/mol
Exact Mass458.14
IUPAC Name6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine
SMILESCC(C)/N=c1/c(-c2ccccc2)c(-c2ccccc2)c2cc(Br)ccc2n1C(C)C
InChIInChI=1S/C27H27BrN2/c1-18(2)29-27-26(21-13-9-6-10-14-21)25(20-11-7-5-8-12-20)23-17-22(28)15-16-24(23)30(27)19(3)4/h5-19H,1-4H3/b29-27-
InChIKeyVMMHCIKGBREETO-OHYPFYFLSA-N
XLogP7.63
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.43
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine
CID 164679430
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CID 87510706
3-bromo-9-butan-2-ylcarbazole
CID 176624773
2-bromo-9,10-diphenylanthracene
CID 22247163
3-bromo-5,6-diphenylcinnolino[2,1-b]phthalazine-8,13-dione
CID 132991804
6-bromo-1,2,9-triphenylcarbazole
CID 142745273
3,6-dibromo-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 163652823
5-bromo-2,3-diphenyl-1-benzothiophene
CID 13027064
CID 158760527
CID 158760527
3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole
CID 121447553
3-bromo-9-(5-phenylthiophen-2-yl)carbazole
CID 139271955
7-bromo-4-methyl-1,2-diphenylnaphthalene
CID 166066890

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine?
The IUPAC name of 6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine (CID 164679428) is 6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine.
What is the SMILES notation for 6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine?
The canonical SMILES for 6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine is CC(C)/N=c1/c(-c2ccccc2)c(-c2ccccc2)c2cc(Br)ccc2n1C(C)C.
What is the InChIKey of 6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine?
The InChIKey is VMMHCIKGBREETO-OHYPFYFLSA-N. The full InChI is InChI=1S/C27H27BrN2/c1-18(2)29-27-26(21-13-9-6-10-14-21)25(20-11-7-5-8-12-20)23-17-22(28)15-16-24(23)30(27)19(3)4/h5-19H,1-4H3/b29-27-.
What are the key properties of 6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine?
6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine has a molecular weight of 459.43 g/mol, XLogP of 7.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-diphenyl-N,1-di(propan-2-yl)quinolin-2-imine is sourced from PubChem (CID 164679428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).