[9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane

C54H38N2S — CID 171458512

IUPAC[9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane
SMILESc1ccc(-c2cccc3c2c2cc(-n4c5ccccc5c5c(S(c6ccccc6)(c6ccccc6)c6ccccc6)cccc54)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H38N2S/c1-6-20-39(21-7-1)45-31-18-33-50-53(45)47-38-41(36-37-49(47)55(50)40-22-8-2-9-23-40)56-48-32-17-16-30-46(48)54-51(56)34-19-35-52(54)57(42-24-10-3-11-25-42,43-26-12-4-13-27-43)44-28-14-5-15-29-44/h1-38H
InChIKeyVRJRSWFUWIQTSX-UHFFFAOYSA-N
MW746.98 g/mol
LogP14.89
Rot. Bonds7

About [9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane

[9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane (PubChem CID 171458512) has the molecular formula C54H38N2S and a molecular weight of 746.98 g/mol. Its IUPAC name is [9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane.

Molecular Properties

Compound Name[9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane
PubChem CID171458512
Molecular FormulaC54H38N2S
Molecular Weight746.98 g/mol
Exact Mass746.28
IUPAC Name[9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane
SMILESc1ccc(-c2cccc3c2c2cc(-n4c5ccccc5c5c(S(c6ccccc6)(c6ccccc6)c6ccccc6)cccc54)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H38N2S/c1-6-20-39(21-7-1)45-31-18-33-50-53(45)47-38-41(36-37-49(47)55(50)40-22-8-2-9-23-40)56-48-32-17-16-30-46(48)54-51(56)34-19-35-52(54)57(42-24-10-3-11-25-42,43-26-12-4-13-27-43)44-28-14-5-15-29-44/h1-38H
InChIKeyVRJRSWFUWIQTSX-UHFFFAOYSA-N
XLogP14.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.98
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[6-carbazol-9-yl-9-[3-(3-phenylphenyl)phenyl]carbazol-4-yl]-triphenyl-λ4-sulfane
CID 171458205
triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane
CID 171458280
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane
CID 171458592
5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 134369810
triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane
CID 171458330
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
3,9-diphenyl-6-[2-(9-phenylcarbazol-2-yl)-5-[4-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]carbazol-9-yl]phenyl]carbazol-9-yl]carbazole
CID 137420817
3-[4-[9-(4-carbazol-9-ylphenyl)carbazol-4-yl]carbazol-9-yl]-9-phenylcarbazole;3,9-diphenyl-6-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazole
CID 159143760
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783

Frequently Asked Questions

What is the IUPAC name of [9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane?
The IUPAC name of [9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane (CID 171458512) is [9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane.
What is the SMILES notation for [9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane?
The canonical SMILES for [9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane is c1ccc(-c2cccc3c2c2cc(-n4c5ccccc5c5c(S(c6ccccc6)(c6ccccc6)c6ccccc6)cccc54)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of [9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane?
The InChIKey is VRJRSWFUWIQTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2S/c1-6-20-39(21-7-1)45-31-18-33-50-53(45)47-38-41(36-37-49(47)55(50)40-22-8-2-9-23-40)56-48-32-17-16-30-46(48)54-51(56)34-19-35-52(54)57(42-24-10-3-11-25-42,43-26-12-4-13-27-43)44-28-14-5-15-29-44/h1-38H.
What are the key properties of [9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane?
[9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane has a molecular weight of 746.98 g/mol, XLogP of 14.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane is sourced from PubChem (CID 171458512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).