9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole

C36H24N2S — CID 59711231

IUPAC9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(Sc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C36H24N2S/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)25-17-21-27(22-18-25)39-28-23-19-26(20-24-28)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-24H
InChIKeyXRXAVEQCLXHNEH-UHFFFAOYSA-N
MW516.67 g/mol
LogP10.03
Rot. Bonds4

About 9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole

9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole (PubChem CID 59711231) has the molecular formula C36H24N2S and a molecular weight of 516.67 g/mol. Its IUPAC name is 9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole
PubChem CID59711231
Molecular FormulaC36H24N2S
Molecular Weight516.67 g/mol
Exact Mass516.17
IUPAC Name9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(Sc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C36H24N2S/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)25-17-21-27(22-18-25)39-28-23-19-26(20-24-28)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-24H
InChIKeyXRXAVEQCLXHNEH-UHFFFAOYSA-N
XLogP10.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.67
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole?
The IUPAC name of 9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole (CID 59711231) is 9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole.
What is the SMILES notation for 9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole?
The canonical SMILES for 9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc(Sc2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole?
The InChIKey is XRXAVEQCLXHNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2S/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)25-17-21-27(22-18-25)39-28-23-19-26(20-24-28)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-24H.
What are the key properties of 9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole?
9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole has a molecular weight of 516.67 g/mol, XLogP of 10.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-carbazol-9-ylphenyl)sulfanylphenyl]carbazole is sourced from PubChem (CID 59711231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).