7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole

C19H16BrN — CID 145280447

IUPAC7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole
SMILESCC1C=Cc2c(c3ccc(Br)cc3n2-c2ccccc2)C1
InChIInChI=1S/C19H16BrN/c1-13-7-10-18-17(11-13)16-9-8-14(20)12-19(16)21(18)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3
InChIKeyNOVKFVQBUUIJLH-UHFFFAOYSA-N
MW338.25 g/mol
LogP5.60
Rot. Bonds1

About 7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole

7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole (PubChem CID 145280447) has the molecular formula C19H16BrN and a molecular weight of 338.25 g/mol. Its IUPAC name is 7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole.

Molecular Properties

Compound Name7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole
PubChem CID145280447
Molecular FormulaC19H16BrN
Molecular Weight338.25 g/mol
Exact Mass337.05
IUPAC Name7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole
SMILESCC1C=Cc2c(c3ccc(Br)cc3n2-c2ccccc2)C1
InChIInChI=1S/C19H16BrN/c1-13-7-10-18-17(11-13)16-9-8-14(20)12-19(16)21(18)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3
InChIKeyNOVKFVQBUUIJLH-UHFFFAOYSA-N
XLogP5.60
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.25
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole
CID 145291042
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole
CID 129209891
3-methyl-12-phenyl-4,11-dihydro-3H-indolo[2,3-a]carbazole
CID 177035992
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163834153
(2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole
CID 126739228
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
3-methyl-3,4-dihydrocarbazol-9-amine
CID 174255238
4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 118686849
9-[(3S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]-3-methyl-3,4-dihydrocarbazole
CID 146532040
9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole
CID 138548370
3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole
CID 163844254
9-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methyl-3,4-dihydrocarbazole
CID 166917192

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole?
The IUPAC name of 7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole (CID 145280447) is 7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole.
What is the SMILES notation for 7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole?
The canonical SMILES for 7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole is CC1C=Cc2c(c3ccc(Br)cc3n2-c2ccccc2)C1.
What is the InChIKey of 7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole?
The InChIKey is NOVKFVQBUUIJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN/c1-13-7-10-18-17(11-13)16-9-8-14(20)12-19(16)21(18)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3.
What are the key properties of 7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole?
7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole has a molecular weight of 338.25 g/mol, XLogP of 5.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methyl-9-phenyl-3,4-dihydrocarbazole is sourced from PubChem (CID 145280447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).