2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol

C36H24N2S — CID 170205206

IUPAC2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol
SMILESSc1ccccc1-c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C36H24N2S/c39-36-19-8-4-12-27(36)24-10-9-11-25(22-24)37-34-18-7-3-15-30(34)31-23-26(20-21-35(31)37)38-32-16-5-1-13-28(32)29-14-2-6-17-33(29)38/h1-23,39H
InChIKeyRESLWUFFBZABTJ-UHFFFAOYSA-N
MW516.67 g/mol
LogP9.84
Rot. Bonds3

About 2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol

2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol (PubChem CID 170205206) has the molecular formula C36H24N2S and a molecular weight of 516.67 g/mol. Its IUPAC name is 2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol.

Molecular Properties

Compound Name2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol
PubChem CID170205206
Molecular FormulaC36H24N2S
Molecular Weight516.67 g/mol
Exact Mass516.17
IUPAC Name2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol
SMILESSc1ccccc1-c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C36H24N2S/c39-36-19-8-4-12-27(36)24-10-9-11-25(22-24)37-34-18-7-3-15-30(34)31-23-26(20-21-35(31)37)38-32-16-5-1-13-28(32)29-14-2-6-17-33(29)38/h1-23,39H
InChIKeyRESLWUFFBZABTJ-UHFFFAOYSA-N
XLogP9.84
TPSA9.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.67
LogP ≤ 59.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzenethiol
CID 156510454
3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
CID 71291318
3-carbazol-9-yl-9-[3-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole
CID 162702859
3-carbazol-9-yl-9-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158665027
11-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168734
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231
3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 170060135
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134194417
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 158212129

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol?
The IUPAC name of 2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol (CID 170205206) is 2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol.
What is the SMILES notation for 2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol?
The canonical SMILES for 2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol is Sc1ccccc1-c1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol?
The InChIKey is RESLWUFFBZABTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2S/c39-36-19-8-4-12-27(36)24-10-9-11-25(22-24)37-34-18-7-3-15-30(34)31-23-26(20-21-35(31)37)38-32-16-5-1-13-28(32)29-14-2-6-17-33(29)38/h1-23,39H.
What are the key properties of 2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol?
2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol has a molecular weight of 516.67 g/mol, XLogP of 9.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzenethiol is sourced from PubChem (CID 170205206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).