2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole

C24H15NS — CID 71234830

IUPAC2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3[nH]c4ccc5c6ccccc6sc5c4c3c2)cc1
InChIInChI=1S/C24H15NS/c1-2-6-15(7-3-1)16-10-12-20-19(14-16)23-21(25-20)13-11-18-17-8-4-5-9-22(17)26-24(18)23/h1-14,25H
InChIKeyLQEVLGNRRIDICR-UHFFFAOYSA-N
MW349.46 g/mol
LogP7.36
Rot. Bonds1

About 2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole

2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole (PubChem CID 71234830) has the molecular formula C24H15NS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole
PubChem CID71234830
Molecular FormulaC24H15NS
Molecular Weight349.46 g/mol
Exact Mass349.09
IUPAC Name2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3[nH]c4ccc5c6ccccc6sc5c4c3c2)cc1
InChIInChI=1S/C24H15NS/c1-2-6-15(7-3-1)16-10-12-20-19(14-16)23-21(25-20)13-11-18-17-8-4-5-9-22(17)26-24(18)23/h1-14,25H
InChIKeyLQEVLGNRRIDICR-UHFFFAOYSA-N
XLogP7.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-phenyl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 134182644
boric acid;9-phenyl-12H-[1]benzothiolo[3,2-a]carbazole
CID 159474235
5-[10-(3-phenylphenyl)anthracen-9-yl]-16-thiahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
CID 147541455
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,23-dithiahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,14,16(24),17,19,21-undecaene
CID 130213013
7,20-diphenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene;6-phenyl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene;3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene;24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 161144591
3-(16-carbazol-9-yl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)-6-phenyl-9H-carbazole
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3,6-bis(2,8-diphenyldibenzothiophen-4-yl)-9H-carbazole
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2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-5H-[1]benzothiolo[3,2-c]carbazole
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5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 167224268
3-(3,5-diphenylphenyl)-6-phenyl-9H-carbazole
CID 176723947
6-phenyl-3,11,19-trithiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13,15,17-octaene
CID 118374098
19-(3-triphenylen-2-ylphenyl)-3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 90337097

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole (CID 71234830) is 2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2ccc3[nH]c4ccc5c6ccccc6sc5c4c3c2)cc1.
What is the InChIKey of 2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is LQEVLGNRRIDICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15NS/c1-2-6-15(7-3-1)16-10-12-20-19(14-16)23-21(25-20)13-11-18-17-8-4-5-9-22(17)26-24(18)23/h1-14,25H.
What are the key properties of 2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole?
2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 349.46 g/mol, XLogP of 7.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5H-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 71234830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).