10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole

C23H18BrN — CID 145204286

IUPAC10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole
SMILESCC1CC=CC=C1n1c2ccc(Br)cc2c2c3ccccc3ccc21
InChIInChI=1S/C23H18BrN/c1-15-6-2-5-9-20(15)25-21-13-11-17(24)14-19(21)23-18-8-4-3-7-16(18)10-12-22(23)25/h2-5,7-15H,6H2,1H3
InChIKeyCWHBTZLAFZKHQR-UHFFFAOYSA-N
MW388.31 g/mol
LogP7.15
Rot. Bonds1

About 10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole

10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole (PubChem CID 145204286) has the molecular formula C23H18BrN and a molecular weight of 388.31 g/mol. Its IUPAC name is 10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole.

Molecular Properties

Compound Name10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole
PubChem CID145204286
Molecular FormulaC23H18BrN
Molecular Weight388.31 g/mol
Exact Mass387.06
IUPAC Name10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole
SMILESCC1CC=CC=C1n1c2ccc(Br)cc2c2c3ccccc3ccc21
InChIInChI=1S/C23H18BrN/c1-15-6-2-5-9-20(15)25-21-13-11-17(24)14-19(21)23-18-8-4-3-7-16(18)10-12-22(23)25/h2-5,7-15H,6H2,1H3
InChIKeyCWHBTZLAFZKHQR-UHFFFAOYSA-N
XLogP7.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.31
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-(6-methylcyclohexa-1,3-dien-1-yl)-9-phenylcarbazole
CID 146177448
7-naphthalen-2-yl-10-(7-naphthalen-2-ylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 118919598
2,6-dibromo-9-naphthalen-2-ylcarbazole
CID 126674108
CID 158843090
CID 158843090
10-[3-(4-bromophenyl)phenyl]-7-naphthalen-1-ylbenzo[c]carbazole
CID 122595386
[2-(4-benzo[c]carbazol-7-ylphenyl)cyclohexa-2,4-dien-1-yl]boronic acid
CID 145280946
10-methyl-7-phenylbenzo[c]carbazole
CID 66635542
12-(10-naphthalen-2-ylanthracen-9-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166831992
7-(3-bromo-1,2-dihydropyridin-6-yl)benzo[c]carbazole
CID 129074614
9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole
CID 161042085
7-naphthalen-1-yl-3-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351193
7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole
CID 139481313

Frequently Asked Questions

What is the IUPAC name of 10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole?
The IUPAC name of 10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole (CID 145204286) is 10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole.
What is the SMILES notation for 10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole?
The canonical SMILES for 10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole is CC1CC=CC=C1n1c2ccc(Br)cc2c2c3ccccc3ccc21.
What is the InChIKey of 10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole?
The InChIKey is CWHBTZLAFZKHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN/c1-15-6-2-5-9-20(15)25-21-13-11-17(24)14-19(21)23-18-8-4-3-7-16(18)10-12-22(23)25/h2-5,7-15H,6H2,1H3.
What are the key properties of 10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole?
10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole has a molecular weight of 388.31 g/mol, XLogP of 7.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-7-(6-methylcyclohexa-1,3-dien-1-yl)benzo[c]carbazole is sourced from PubChem (CID 145204286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).