triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane

C66H46N2S — CID 171458592

IUPACtriphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccc(S(c8ccccc8)(c8ccccc8)c8ccccc8)cc76)cc5c5c(-c6ccccc6)cccc54)c3)c2)cc1
InChIInChI=1S/C66H46N2S/c1-6-21-47(22-7-1)49-25-18-26-50(43-49)51-27-19-28-52(44-51)67-63-42-39-53(45-61(63)66-58(36-20-38-64(66)67)48-23-8-2-9-24-48)68-62-37-17-16-35-59(62)60-41-40-57(46-65(60)68)69(54-29-10-3-11-30-54,55-31-12-4-13-32-55)56-33-14-5-15-34-56/h1-46H
InChIKeyVKVLXPGKLCOKLO-UHFFFAOYSA-N
MW899.18 g/mol
LogP18.22
Rot. Bonds9

About triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane

triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane (PubChem CID 171458592) has the molecular formula C66H46N2S and a molecular weight of 899.18 g/mol. Its IUPAC name is triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane.

Molecular Properties

Compound Nametriphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane
PubChem CID171458592
Molecular FormulaC66H46N2S
Molecular Weight899.18 g/mol
Exact Mass898.34
IUPAC Nametriphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane
SMILESc1ccc(-c2cccc(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccc(S(c8ccccc8)(c8ccccc8)c8ccccc8)cc76)cc5c5c(-c6ccccc6)cccc54)c3)c2)cc1
InChIInChI=1S/C66H46N2S/c1-6-21-47(22-7-1)49-25-18-26-50(43-49)51-27-19-28-52(44-51)67-63-42-39-53(45-61(63)66-58(36-20-38-64(66)67)48-23-8-2-9-24-48)68-62-37-17-16-35-59(62)60-41-40-57(46-65(60)68)69(54-29-10-3-11-30-54,55-31-12-4-13-32-55)56-33-14-5-15-34-56/h1-46H
InChIKeyVKVLXPGKLCOKLO-UHFFFAOYSA-N
XLogP18.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.18
LogP ≤ 518.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane
CID 171458330
triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane
CID 171458280
[6-carbazol-9-yl-9-[3-(3-phenylphenyl)phenyl]carbazol-4-yl]-triphenyl-λ4-sulfane
CID 171458205
[9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane
CID 171458512
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-[9-(3,5-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 170072812
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
5-phenyl-9-(3-phenylphenyl)-3-[5-phenyl-9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 134369790
5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 134369810
3-[4-[5,9-bis(3-phenylphenyl)carbazol-3-yl]phenyl]-5,9-bis(3-phenylphenyl)carbazole;5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-phenyl-5-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158407520
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

Frequently Asked Questions

What is the IUPAC name of triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane?
The IUPAC name of triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane (CID 171458592) is triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane.
What is the SMILES notation for triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane?
The canonical SMILES for triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane is c1ccc(-c2cccc(-c3cccc(-n4c5ccc(-n6c7ccccc7c7ccc(S(c8ccccc8)(c8ccccc8)c8ccccc8)cc76)cc5c5c(-c6ccccc6)cccc54)c3)c2)cc1.
What is the InChIKey of triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane?
The InChIKey is VKVLXPGKLCOKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2S/c1-6-21-47(22-7-1)49-25-18-26-50(43-49)51-27-19-28-52(44-51)67-63-42-39-53(45-61(63)66-58(36-20-38-64(66)67)48-23-8-2-9-24-48)68-62-37-17-16-35-59(62)60-41-40-57(46-65(60)68)69(54-29-10-3-11-30-54,55-31-12-4-13-32-55)56-33-14-5-15-34-56/h1-46H.
What are the key properties of triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane?
triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane has a molecular weight of 899.18 g/mol, XLogP of 18.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane is sourced from PubChem (CID 171458592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).