9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole

C24H14ClNS — CID 166009350

IUPAC9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole
SMILESClc1ccc2c(c1)c1ccc3sc4ccccc4c3c1n2-c1ccccc1
InChIInChI=1S/C24H14ClNS/c25-15-10-12-20-19(14-15)17-11-13-22-23(18-8-4-5-9-21(18)27-22)24(17)26(20)16-6-2-1-3-7-16/h1-14H
InChIKeyGZMFQHQRQQMLBZ-UHFFFAOYSA-N
MW383.90 g/mol
LogP7.80
Rot. Bonds1

About 9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole

9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole (PubChem CID 166009350) has the molecular formula C24H14ClNS and a molecular weight of 383.90 g/mol. Its IUPAC name is 9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole
PubChem CID166009350
Molecular FormulaC24H14ClNS
Molecular Weight383.90 g/mol
Exact Mass383.05
IUPAC Name9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole
SMILESClc1ccc2c(c1)c1ccc3sc4ccccc4c3c1n2-c1ccccc1
InChIInChI=1S/C24H14ClNS/c25-15-10-12-20-19(14-15)17-11-13-22-23(18-8-4-5-9-21(18)27-22)24(17)26(20)16-6-2-1-3-7-16/h1-14H
InChIKeyGZMFQHQRQQMLBZ-UHFFFAOYSA-N
XLogP7.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-phenyl-9-(1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 121287149
12-phenyl-15-(4-phenylphenyl)-24-thia-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 144705068
12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 118503100
12-[3-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192716
14,22-diphenyl-9-thia-14,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene
CID 118203573
12-[4-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192765
18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene
CID 90267618
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167193191
9-chloro-27-thia-1,13-diazanonacyclo[16.13.1.12,6.07,12.014,32.019,31.020,28.021,26.013,33]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(32),19(31),20(28),21,23,25,29-pentadecaene
CID 166694198
12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167193517
5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-methyl-[1]benzothiolo[3,2-a]carbazole
CID 121287146

Frequently Asked Questions

What is the IUPAC name of 9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole (CID 166009350) is 9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole is Clc1ccc2c(c1)c1ccc3sc4ccccc4c3c1n2-c1ccccc1.
What is the InChIKey of 9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is GZMFQHQRQQMLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClNS/c25-15-10-12-20-19(14-15)17-11-13-22-23(18-8-4-5-9-21(18)27-22)24(17)26(20)16-6-2-1-3-7-16/h1-14H.
What are the key properties of 9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole?
9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole has a molecular weight of 383.90 g/mol, XLogP of 7.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 166009350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).