3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C24H18N2S12 — CID 159714567

IUPAC3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESNc1cccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1.S=S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C24H18N2.S12/c25-18-9-6-8-17(16-18)20-13-7-14-22-21-12-4-5-15-23(21)26(24(20)22)19-10-2-1-3-11-19;1-3-5-7-9-11-12-10-8-6-4-2/h1-16H,25H2;
InChIKeyMZGOBKMPYSIBFG-UHFFFAOYSA-N
MW719.23 g/mol
LogP6.00
Rot. Bonds2

About 3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 159714567) has the molecular formula C24H18N2S12 and a molecular weight of 719.23 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

Compound Name3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
PubChem CID159714567
Molecular FormulaC24H18N2S12
Molecular Weight719.23 g/mol
Exact Mass717.81
IUPAC Name3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESNc1cccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1.S=S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C24H18N2.S12/c25-18-9-6-8-17(16-18)20-13-7-14-22-21-12-4-5-15-23(21)26(24(20)22)19-10-2-1-3-11-19;1-3-5-7-9-11-12-10-8-6-4-2/h1-16H,25H2;
InChIKeyMZGOBKMPYSIBFG-UHFFFAOYSA-N
XLogP6.00
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.23
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane with MolForge

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Related Compounds

9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
9-phenyl-1-[3-[5-[3-(9-phenylcarbazol-1-yl)phenyl]furan-2-yl]phenyl]carbazole
CID 71127207
9-phenyl-1-(3-triphenylen-2-ylphenyl)carbazole
CID 118014216
1-(3,5-dimethylphenyl)-9-phenylcarbazole
CID 169054866
9-phenyl-1-[2-(3-phenylphenyl)phenyl]carbazole
CID 175012916
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
1-(3-methyl-4-phenylphenyl)-9-phenylcarbazole
CID 146397471
6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
CID 126630373
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
12-methyl-1,11-diphenylindolo[2,3-a]carbazole
CID 176615335
7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
CID 134252986
1-(2-chloro-4-pyridinyl)-9-phenylcarbazole
CID 166873506

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The IUPAC name of 3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 159714567) is 3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.
What is the SMILES notation for 3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The canonical SMILES for 3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is Nc1cccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1.S=S=S=S=S=S=S=S=S=S=S=S.
What is the InChIKey of 3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The InChIKey is MZGOBKMPYSIBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2.S12/c25-18-9-6-8-17(16-18)20-13-7-14-22-21-12-4-5-15-23(21)26(24(20)22)19-10-2-1-3-11-19;1-3-5-7-9-11-12-10-8-6-4-2/h1-16H,25H2;.
What are the key properties of 3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 719.23 g/mol, XLogP of 6.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-1-yl)aniline;sulfanylidene-[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 159714567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).