3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole

C42H26N2S — CID 90291756

IUPAC3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C42H26N2S/c1-6-17-34(43-35-18-7-2-13-29(35)30-14-3-8-19-36(30)43)28(12-1)27-24-25-38-33(26-27)31-15-4-9-20-37(31)44(38)39-21-11-23-41-42(39)32-16-5-10-22-40(32)45-41/h1-26H
InChIKeyQPXHCJRTTOQKBE-UHFFFAOYSA-N
MW590.75 g/mol
LogP11.92
Rot. Bonds3

About 3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole

3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole (PubChem CID 90291756) has the molecular formula C42H26N2S and a molecular weight of 590.75 g/mol. Its IUPAC name is 3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole.

Molecular Properties

Compound Name3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
PubChem CID90291756
Molecular FormulaC42H26N2S
Molecular Weight590.75 g/mol
Exact Mass590.18
IUPAC Name3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C42H26N2S/c1-6-17-34(43-35-18-7-2-13-29(35)30-14-3-8-19-36(30)43)28(12-1)27-24-25-38-33(26-27)31-15-4-9-20-37(31)44(38)39-21-11-23-41-42(39)32-16-5-10-22-40(32)45-41/h1-26H
InChIKeyQPXHCJRTTOQKBE-UHFFFAOYSA-N
XLogP11.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.75
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
9-dibenzothiophen-1-yl-14-(2-naphthalen-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167157227
3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole
CID 118458137
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole
CID 167289270
3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90310025
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
3-carbazol-9-yl-9-[9-(8-carbazol-9-yldibenzothiophen-1-yl)carbazol-3-yl]carbazole
CID 176831748
9-(8-dibenzofuran-1-yldibenzothiophen-1-yl)carbazole
CID 170286447

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole?
The IUPAC name of 3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole (CID 90291756) is 3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole.
What is the SMILES notation for 3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole?
The canonical SMILES for 3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc3c(c2)c2ccccc2n3-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of 3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole?
The InChIKey is QPXHCJRTTOQKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2S/c1-6-17-34(43-35-18-7-2-13-29(35)30-14-3-8-19-36(30)43)28(12-1)27-24-25-38-33(26-27)31-15-4-9-20-37(31)44(38)39-21-11-23-41-42(39)32-16-5-10-22-40(32)45-41/h1-26H.
What are the key properties of 3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole?
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole has a molecular weight of 590.75 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole is sourced from PubChem (CID 90291756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).