3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen

C36H26N2S2 — CID 143348684

IUPAC3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen
SMILESSc1cc(-c2cc(S)cc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.[H][H]
InChIInChI=1S/C36H24N2S2.H2/c39-27-19-23(17-25(21-27)37-33-13-5-1-9-29(33)30-10-2-6-14-34(30)37)24-18-26(22-28(40)20-24)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;/h1-22,39-40H;1H
InChIKeyQSJDSRPHYOVVLR-UHFFFAOYSA-N
MW550.75 g/mol
LogP10.37
Rot. Bonds3

About 3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen

3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen (PubChem CID 143348684) has the molecular formula C36H26N2S2 and a molecular weight of 550.75 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen.

Molecular Properties

Compound Name3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen
PubChem CID143348684
Molecular FormulaC36H26N2S2
Molecular Weight550.75 g/mol
Exact Mass550.15
IUPAC Name3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen
SMILESSc1cc(-c2cc(S)cc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.[H][H]
InChIInChI=1S/C36H24N2S2.H2/c39-27-19-23(17-25(21-27)37-33-13-5-1-9-29(33)30-10-2-6-14-34(30)37)24-18-26(22-28(40)20-24)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;/h1-22,39-40H;1H
InChIKeyQSJDSRPHYOVVLR-UHFFFAOYSA-N
XLogP10.37
TPSA9.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.75
LogP ≤ 510.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen with MolForge

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Related Compounds

9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
CID 160506495
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
3-carbazol-9-ylbenzenethiol
CID 138734819
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole
CID 59413518
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-phenylcarbazole
CID 163609508
9-[3-[3-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 58693128
9-[3-carbazol-9-yl-5-(7-carbazol-9-yltriphenylen-2-yl)phenyl]carbazole
CID 88884836

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen?
The IUPAC name of 3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen (CID 143348684) is 3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen.
What is the SMILES notation for 3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen?
The canonical SMILES for 3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen is Sc1cc(-c2cc(S)cc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.[H][H].
What is the InChIKey of 3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen?
The InChIKey is QSJDSRPHYOVVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2S2.H2/c39-27-19-23(17-25(21-27)37-33-13-5-1-9-29(33)30-10-2-6-14-34(30)37)24-18-26(22-28(40)20-24)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;/h1-22,39-40H;1H.
What are the key properties of 3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen?
3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen has a molecular weight of 550.75 g/mol, XLogP of 10.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-5-(3-carbazol-9-yl-5-sulfanylphenyl)benzenethiol;molecular hydrogen is sourced from PubChem (CID 143348684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).