7-bromo-3-methyl-1,2-diphenylbenzo[e]indole

C25H18BrN — CID 142312592

IUPAC7-bromo-3-methyl-1,2-diphenylbenzo[e]indole
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)c2c3ccc(Br)cc3ccc21
InChIInChI=1S/C25H18BrN/c1-27-22-15-12-19-16-20(26)13-14-21(19)24(22)23(17-8-4-2-5-9-17)25(27)18-10-6-3-7-11-18/h2-16H,1H3
InChIKeyJEVWPIAZUJTHRN-UHFFFAOYSA-N
MW412.33 g/mol
LogP7.43
Rot. Bonds2

About 7-bromo-3-methyl-1,2-diphenylbenzo[e]indole

7-bromo-3-methyl-1,2-diphenylbenzo[e]indole (PubChem CID 142312592) has the molecular formula C25H18BrN and a molecular weight of 412.33 g/mol. Its IUPAC name is 7-bromo-3-methyl-1,2-diphenylbenzo[e]indole.

Molecular Properties

Compound Name7-bromo-3-methyl-1,2-diphenylbenzo[e]indole
PubChem CID142312592
Molecular FormulaC25H18BrN
Molecular Weight412.33 g/mol
Exact Mass411.06
IUPAC Name7-bromo-3-methyl-1,2-diphenylbenzo[e]indole
SMILESCn1c(-c2ccccc2)c(-c2ccccc2)c2c3ccc(Br)cc3ccc21
InChIInChI=1S/C25H18BrN/c1-27-22-15-12-19-16-20(26)13-14-21(19)24(22)23(17-8-4-2-5-9-17)25(27)18-10-6-3-7-11-18/h2-16H,1H3
InChIKeyJEVWPIAZUJTHRN-UHFFFAOYSA-N
XLogP7.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.33
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole
CID 121447553
9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 134395156
2,9-dibromo-6,13-dimethyl-7,14-diphenylnaphtho[1,2-b]phenanthrene
CID 118312552
9-(7-bromonaphthalen-2-yl)-10-phenylanthracene
CID 134391865
1-methyl-2,3-diphenylindole
CID 11426096
3,6-dibromo-9-(2,3,4,5,6-pentakis-phenylphenyl)carbazole
CID 87510706
2-bromo-6,9,13-trimethyl-7,14-diphenylnaphtho[1,2-b]phenanthrene
CID 118312628
2-bromo-9,10-diphenylanthracene
CID 22247163
7-bromo-2-phenylbenzo[e][1]benzofuran
CID 90759683
7-bromo-3-cyclohexa-1,3,4,5-tetraen-1-yl-1,2-diphenyl-10H-pyrrolo[3,2-a]carbazole
CID 90062858
CID 158843090
CID 158843090
6-bromo-1,2,9-triphenylcarbazole
CID 142745273

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methyl-1,2-diphenylbenzo[e]indole?
The IUPAC name of 7-bromo-3-methyl-1,2-diphenylbenzo[e]indole (CID 142312592) is 7-bromo-3-methyl-1,2-diphenylbenzo[e]indole.
What is the SMILES notation for 7-bromo-3-methyl-1,2-diphenylbenzo[e]indole?
The canonical SMILES for 7-bromo-3-methyl-1,2-diphenylbenzo[e]indole is Cn1c(-c2ccccc2)c(-c2ccccc2)c2c3ccc(Br)cc3ccc21.
What is the InChIKey of 7-bromo-3-methyl-1,2-diphenylbenzo[e]indole?
The InChIKey is JEVWPIAZUJTHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrN/c1-27-22-15-12-19-16-20(26)13-14-21(19)24(22)23(17-8-4-2-5-9-17)25(27)18-10-6-3-7-11-18/h2-16H,1H3.
What are the key properties of 7-bromo-3-methyl-1,2-diphenylbenzo[e]indole?
7-bromo-3-methyl-1,2-diphenylbenzo[e]indole has a molecular weight of 412.33 g/mol, XLogP of 7.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methyl-1,2-diphenylbenzo[e]indole is sourced from PubChem (CID 142312592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).