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

C42H26N2S — CID 118392029

IUPAC2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole
SMILESc1cc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C42H26N2S/c1-5-16-37-31(12-1)32-13-2-6-17-38(32)43(37)29-11-9-10-27(24-29)28-20-22-34-33-14-3-7-18-39(33)44(40(34)25-28)30-21-23-36-35-15-4-8-19-41(35)45-42(36)26-30/h1-26H
InChIKeyXWDGGOPBAPKROD-UHFFFAOYSA-N
MW590.75 g/mol
LogP11.92
Rot. Bonds3

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

2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole (PubChem CID 118392029) has the molecular formula C42H26N2S and a molecular weight of 590.75 g/mol. Its IUPAC name is 2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole.

Molecular Properties

Compound Name2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole
PubChem CID118392029
Molecular FormulaC42H26N2S
Molecular Weight590.75 g/mol
Exact Mass590.18
IUPAC Name2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole
SMILESc1cc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C42H26N2S/c1-5-16-37-31(12-1)32-13-2-6-17-38(32)43(37)29-11-9-10-27(24-29)28-20-22-34-33-14-3-7-18-39(33)44(40(34)25-28)30-21-23-36-35-15-4-8-19-41(35)45-42(36)26-30/h1-26H
InChIKeyXWDGGOPBAPKROD-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

5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 171414679
9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265425
7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193329
7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311
9-(8-dibenzothiophen-2-yldibenzothiophen-3-yl)carbazole
CID 170688683
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
9-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747324
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
9-[3-[4,6-bis[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-dibenzothiophen-3-ylcarbazole
CID 126632090
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole?
The IUPAC name of 2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole (CID 118392029) is 2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole.
What is the SMILES notation for 2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole?
The canonical SMILES for 2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole is c1cc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)sc4ccccc45)c3c2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole?
The InChIKey is XWDGGOPBAPKROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2S/c1-5-16-37-31(12-1)32-13-2-6-17-38(32)43(37)29-11-9-10-27(24-29)28-20-22-34-33-14-3-7-18-39(33)44(40(34)25-28)30-21-23-36-35-15-4-8-19-41(35)45-42(36)26-30/h1-26H.
What are the key properties of 2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole?
2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-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 2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole is sourced from PubChem (CID 118392029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).