5-chlorobenzo[b]carbazole

C16H10ClN — CID 139496406

IUPAC5-chlorobenzo[b]carbazole
SMILESCln1c2ccccc2c2cc3ccccc3cc21
InChIInChI=1S/C16H10ClN/c17-18-15-8-4-3-7-13(15)14-9-11-5-1-2-6-12(11)10-16(14)18/h1-10H
InChIKeyOVEZTVOUNUGQOZ-UHFFFAOYSA-N
MW251.72 g/mol
LogP4.95
Rot. Bonds

About 5-chlorobenzo[b]carbazole

5-chlorobenzo[b]carbazole (PubChem CID 139496406) has the molecular formula C16H10ClN and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-chlorobenzo[b]carbazole.

Molecular Properties

Compound Name5-chlorobenzo[b]carbazole
PubChem CID139496406
Molecular FormulaC16H10ClN
Molecular Weight251.72 g/mol
Exact Mass251.05
IUPAC Name5-chlorobenzo[b]carbazole
SMILESCln1c2ccccc2c2cc3ccccc3cc21
InChIInChI=1S/C16H10ClN/c17-18-15-8-4-3-7-13(15)14-9-11-5-1-2-6-12(11)10-16(14)18/h1-10H
InChIKeyOVEZTVOUNUGQOZ-UHFFFAOYSA-N
XLogP4.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,18-diazanonacyclo[16.14.1.12,13.03,12.05,10.019,28.021,26.029,33.017,34]tetratriaconta-1(32),3,5,7,9,11,13(34),14,16,19,21,23,25,27,29(33),30-hexadecaene
CID 171595191
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
16-methyl-16-azaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene
CID 126749251
15,19-diazaoctacyclo[17.10.1.02,18.04,16.05,14.07,12.020,25.026,30]triaconta-1(29),2,4(16),5,7,9,11,13,17,20,22,24,26(30),27-tetradecaene
CID 166921790
(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)boronic acid
CID 174312456
16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799
N-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-amine
CID 163849157
12-methyl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-methylbenzo[a]carbazole;5-methylbenzo[b]carbazole;9-methylcarbazole
CID 163692832
5-pyridin-3-ylbenzo[b]carbazole
CID 122464099
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000
2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628
5,12-dichlorotetracene
CID 87498157

Frequently Asked Questions

What is the IUPAC name of 5-chlorobenzo[b]carbazole?
The IUPAC name of 5-chlorobenzo[b]carbazole (CID 139496406) is 5-chlorobenzo[b]carbazole.
What is the SMILES notation for 5-chlorobenzo[b]carbazole?
The canonical SMILES for 5-chlorobenzo[b]carbazole is Cln1c2ccccc2c2cc3ccccc3cc21.
What is the InChIKey of 5-chlorobenzo[b]carbazole?
The InChIKey is OVEZTVOUNUGQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN/c17-18-15-8-4-3-7-13(15)14-9-11-5-1-2-6-12(11)10-16(14)18/h1-10H.
What are the key properties of 5-chlorobenzo[b]carbazole?
5-chlorobenzo[b]carbazole has a molecular weight of 251.72 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorobenzo[b]carbazole is sourced from PubChem (CID 139496406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).