2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole

C26H17NS — CID 142748705

IUPAC2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole
SMILESc1ccc(-c2c(-c3ccc4c(c3)[nH]c3ccccc34)sc3ccccc23)cc1
InChIInChI=1S/C26H17NS/c1-2-8-17(9-3-1)25-21-11-5-7-13-24(21)28-26(25)18-14-15-20-19-10-4-6-12-22(19)27-23(20)16-18/h1-16,27H
InChIKeyYJWTUQYGVGVKEV-UHFFFAOYSA-N
MW375.50 g/mol
LogP7.87
Rot. Bonds2

About 2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole

2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole (PubChem CID 142748705) has the molecular formula C26H17NS and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole.

Molecular Properties

Compound Name2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole
PubChem CID142748705
Molecular FormulaC26H17NS
Molecular Weight375.50 g/mol
Exact Mass375.11
IUPAC Name2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole
SMILESc1ccc(-c2c(-c3ccc4c(c3)[nH]c3ccccc34)sc3ccccc23)cc1
InChIInChI=1S/C26H17NS/c1-2-8-17(9-3-1)25-21-11-5-7-13-24(21)28-26(25)18-14-15-20-19-10-4-6-12-22(19)27-23(20)16-18/h1-16,27H
InChIKeyYJWTUQYGVGVKEV-UHFFFAOYSA-N
XLogP7.87
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-benzothiophen-2-yl)-9H-carbazole
CID 142748713
2-(3-nitro-1-benzothiophen-2-yl)-9H-carbazole
CID 142727152
2-(3-phenylphenyl)-9H-carbazole
CID 135143847
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
2-naphtho[3,2-b][1]benzothiol-11-yl-9H-carbazole
CID 146369031
3-[3-(4-hydroxyphenyl)-1-benzothiophen-2-yl]phenol
CID 91970624
9H-carbazole;9,10-diphenylanthracene
CID 159841164
2-triphenylen-2-yl-9H-carbazole
CID 118922949
3-(3-nitro-1-benzothiophen-2-yl)-9H-carbazole
CID 142727141
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
3,7-diphenyl-2,6-bis(4-phenylphenyl)thieno[2,3-f][1]benzothiole
CID 126653606
2-(2,5-diphenylphenyl)-9H-carbazole
CID 177269985

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole?
The IUPAC name of 2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole (CID 142748705) is 2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole.
What is the SMILES notation for 2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole?
The canonical SMILES for 2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole is c1ccc(-c2c(-c3ccc4c(c3)[nH]c3ccccc34)sc3ccccc23)cc1.
What is the InChIKey of 2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole?
The InChIKey is YJWTUQYGVGVKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NS/c1-2-8-17(9-3-1)25-21-11-5-7-13-24(21)28-26(25)18-14-15-20-19-10-4-6-12-22(19)27-23(20)16-18/h1-16,27H.
What are the key properties of 2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole?
2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole has a molecular weight of 375.50 g/mol, XLogP of 7.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1-benzothiophen-2-yl)-9H-carbazole is sourced from PubChem (CID 142748705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).