carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane

C66H44N4S — CID 175633031

IUPACcarbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane
SMILESc1ccc(S(c2ccc(-n3c4ccccc4c4ccccc43)cc2)(c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C66H44N4S/c1-2-18-48(19-3-1)71(70-65-32-16-9-24-55(65)56-25-10-17-33-66(56)70,49-39-34-45(35-40-49)67-59-27-11-4-20-51(59)52-21-5-12-28-60(52)67)50-41-36-46(37-42-50)68-63-31-15-8-26-57(63)58-44-47(38-43-64(58)68)69-61-29-13-6-22-53(61)54-23-7-14-30-62(54)69/h1-44H
InChIKeyZBKQETQRBFFAFQ-UHFFFAOYSA-N
MW925.17 g/mol
LogP17.83
Rot. Bonds7

About carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane

carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane (PubChem CID 175633031) has the molecular formula C66H44N4S and a molecular weight of 925.17 g/mol. Its IUPAC name is carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane.

Molecular Properties

Compound Namecarbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane
PubChem CID175633031
Molecular FormulaC66H44N4S
Molecular Weight925.17 g/mol
Exact Mass924.33
IUPAC Namecarbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane
SMILESc1ccc(S(c2ccc(-n3c4ccccc4c4ccccc43)cc2)(c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C66H44N4S/c1-2-18-48(19-3-1)71(70-65-32-16-9-24-55(65)56-25-10-17-33-66(56)70,49-39-34-45(35-40-49)67-59-27-11-4-20-51(59)52-21-5-12-28-60(52)67)50-41-36-46(37-42-50)68-63-31-15-8-26-57(63)58-44-47(38-43-64(58)68)69-61-29-13-6-22-53(61)54-23-7-14-30-62(54)69/h1-44H
InChIKeyZBKQETQRBFFAFQ-UHFFFAOYSA-N
XLogP17.83
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.17
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane
CID 167052172
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane
CID 145345114
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314

Frequently Asked Questions

What is the IUPAC name of carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane?
The IUPAC name of carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane (CID 175633031) is carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane.
What is the SMILES notation for carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane?
The canonical SMILES for carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane is c1ccc(S(c2ccc(-n3c4ccccc4c4ccccc43)cc2)(c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane?
The InChIKey is ZBKQETQRBFFAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N4S/c1-2-18-48(19-3-1)71(70-65-32-16-9-24-55(65)56-25-10-17-33-66(56)70,49-39-34-45(35-40-49)67-59-27-11-4-20-51(59)52-21-5-12-28-60(52)67)50-41-36-46(37-42-50)68-63-31-15-8-26-57(63)58-44-47(38-43-64(58)68)69-61-29-13-6-22-53(61)54-23-7-14-30-62(54)69/h1-44H.
What are the key properties of carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane?
carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane has a molecular weight of 925.17 g/mol, XLogP of 17.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane is sourced from PubChem (CID 175633031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).