7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline

C23H18BrN — CID 138975287

IUPAC7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline
SMILESCc1cc2c(-c3ccccc3)c(-c3ccccc3)nc(C)c2cc1Br
InChIInChI=1S/C23H18BrN/c1-15-13-20-19(14-21(15)24)16(2)25-23(18-11-7-4-8-12-18)22(20)17-9-5-3-6-10-17/h3-14H,1-2H3
InChIKeyGWSSKXXBJQGELE-UHFFFAOYSA-N
MW388.31 g/mol
LogP6.95
Rot. Bonds2

About 7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline

7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline (PubChem CID 138975287) has the molecular formula C23H18BrN and a molecular weight of 388.31 g/mol. Its IUPAC name is 7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline.

Molecular Properties

Compound Name7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline
PubChem CID138975287
Molecular FormulaC23H18BrN
Molecular Weight388.31 g/mol
Exact Mass387.06
IUPAC Name7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline
SMILESCc1cc2c(-c3ccccc3)c(-c3ccccc3)nc(C)c2cc1Br
InChIInChI=1S/C23H18BrN/c1-15-13-20-19(14-21(15)24)16(2)25-23(18-11-7-4-8-12-18)22(20)17-9-5-3-6-10-17/h3-14H,1-2H3
InChIKeyGWSSKXXBJQGELE-UHFFFAOYSA-N
XLogP6.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.31
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Bromo-6-phenylphenanthridine
CID 242399
6-Bromo-2,4-diphenylquinoline
CID 632251
2-(4-Bromophenyl)-4,6-diphenylpyridine
CID 2801866
6-Bromo-2-(4-methylphenyl)-4-phenylquinoline
CID 1913800
6-Bromo-2-cyclohexyl-4-phenylquinoline
CID 134131031
2-(2-Bromophenyl)-6-methylquinoline
CID 19379830
2-(3-Bromophenyl)-4-phenylquinoline
CID 30331091
6-Bromo-2-methyl-3-phenylquinoline
CID 127048526
4-(4-Bromophenyl)-2,6-diphenylpyridine
CID 633486
6-Bromo-2-(4-bromophenyl)-4-phenylquinoline
CID 634899
2-(10-Bromoanthracen-9-yl)pyridine
CID 138593628
2-(3-Bromophenyl)-6-methyl-4-phenylquinoline
CID 24813932

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline?
The IUPAC name of 7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline (CID 138975287) is 7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline.
What is the SMILES notation for 7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline?
The canonical SMILES for 7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline is Cc1cc2c(-c3ccccc3)c(-c3ccccc3)nc(C)c2cc1Br.
What is the InChIKey of 7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline?
The InChIKey is GWSSKXXBJQGELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN/c1-15-13-20-19(14-21(15)24)16(2)25-23(18-11-7-4-8-12-18)22(20)17-9-5-3-6-10-17/h3-14H,1-2H3.
What are the key properties of 7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline?
7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline has a molecular weight of 388.31 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,6-dimethyl-3,4-diphenylisoquinoline is sourced from PubChem (CID 138975287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).