5-bromo-3-ethenyl-2-methyl-1-phenylindole

C17H14BrN — CID 123907696

IUPAC5-bromo-3-ethenyl-2-methyl-1-phenylindole
SMILESC=Cc1c(C)n(-c2ccccc2)c2ccc(Br)cc12
InChIInChI=1S/C17H14BrN/c1-3-15-12(2)19(14-7-5-4-6-8-14)17-10-9-13(18)11-16(15)17/h3-11H,1H2,2H3
InChIKeyISUGMVKXXUJNNR-UHFFFAOYSA-N
MW312.21 g/mol
LogP5.34
Rot. Bonds2

About 5-bromo-3-ethenyl-2-methyl-1-phenylindole

5-bromo-3-ethenyl-2-methyl-1-phenylindole (PubChem CID 123907696) has the molecular formula C17H14BrN and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-3-ethenyl-2-methyl-1-phenylindole.

Molecular Properties

Compound Name5-bromo-3-ethenyl-2-methyl-1-phenylindole
PubChem CID123907696
Molecular FormulaC17H14BrN
Molecular Weight312.21 g/mol
Exact Mass311.03
IUPAC Name5-bromo-3-ethenyl-2-methyl-1-phenylindole
SMILESC=Cc1c(C)n(-c2ccccc2)c2ccc(Br)cc12
InChIInChI=1S/C17H14BrN/c1-3-15-12(2)19(14-7-5-4-6-8-14)17-10-9-13(18)11-16(15)17/h3-11H,1H2,2H3
InChIKeyISUGMVKXXUJNNR-UHFFFAOYSA-N
XLogP5.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.21
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole
CID 144919540
5-bromo-2,3-dimethyl-1-(4-phenylphenyl)indole;prop-1-ene
CID 143516126
CID 89213448
CID 89213448
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane
CID 58687534
3-bromo-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 141339082
ethene;2-methyl-N,1-diphenyl-3-[(Z)-prop-1-enyl]indol-5-amine
CID 143402088
6-ethenyl-N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 166764286
6-bromo-1,2,9-triphenylcarbazole
CID 142745273
3-bromo-9-phenylcarbazole;N,9-diphenylcarbazol-3-amine
CID 161460507
2,3-bis(ethenyl)-1-[4-[2-[4-(3-ethenyl-2-methylindol-1-yl)phenyl]propan-2-yl]phenyl]indole
CID 143119204
5-bromo-3-[(1Z)-buta-1,3-dienyl]-1-[4-[6-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-2-methylindole
CID 144976463

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethenyl-2-methyl-1-phenylindole?
The IUPAC name of 5-bromo-3-ethenyl-2-methyl-1-phenylindole (CID 123907696) is 5-bromo-3-ethenyl-2-methyl-1-phenylindole.
What is the SMILES notation for 5-bromo-3-ethenyl-2-methyl-1-phenylindole?
The canonical SMILES for 5-bromo-3-ethenyl-2-methyl-1-phenylindole is C=Cc1c(C)n(-c2ccccc2)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-ethenyl-2-methyl-1-phenylindole?
The InChIKey is ISUGMVKXXUJNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN/c1-3-15-12(2)19(14-7-5-4-6-8-14)17-10-9-13(18)11-16(15)17/h3-11H,1H2,2H3.
What are the key properties of 5-bromo-3-ethenyl-2-methyl-1-phenylindole?
5-bromo-3-ethenyl-2-methyl-1-phenylindole has a molecular weight of 312.21 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethenyl-2-methyl-1-phenylindole is sourced from PubChem (CID 123907696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).