triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane

C54H38N2S — CID 171458280

IUPACtriphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane
SMILESc1ccc(-c2cccc3c2c2ccccc2n3-c2ccc3c4ccccc4n(-c4ccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c3c2)cc1
InChIInChI=1S/C54H38N2S/c1-5-18-39(19-6-1)46-28-17-31-52-54(46)49-27-14-16-30-51(49)56(52)41-34-37-48-47-26-13-15-29-50(47)55(53(48)38-41)40-32-35-45(36-33-40)57(42-20-7-2-8-21-42,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h1-38H
InChIKeyVNIWHUOKRWPMHN-UHFFFAOYSA-N
MW746.98 g/mol
LogP14.89
Rot. Bonds7

About triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane

triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane (PubChem CID 171458280) has the molecular formula C54H38N2S and a molecular weight of 746.98 g/mol. Its IUPAC name is triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane.

Molecular Properties

Compound Nametriphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane
PubChem CID171458280
Molecular FormulaC54H38N2S
Molecular Weight746.98 g/mol
Exact Mass746.28
IUPAC Nametriphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane
SMILESc1ccc(-c2cccc3c2c2ccccc2n3-c2ccc3c4ccccc4n(-c4ccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c3c2)cc1
InChIInChI=1S/C54H38N2S/c1-5-18-39(19-6-1)46-28-17-31-52-54(46)49-27-14-16-30-51(49)56(52)41-34-37-48-47-26-13-15-29-50(47)55(53(48)38-41)40-32-35-45(36-33-40)57(42-20-7-2-8-21-42,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h1-38H
InChIKeyVNIWHUOKRWPMHN-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

triphenyl-[4-[2-[4-(3-phenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-λ4-sulfane
CID 171458330
triphenyl-[9-[5-phenyl-9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-2-yl]-λ4-sulfane
CID 171458592
[9-(5,9-diphenylcarbazol-3-yl)carbazol-4-yl]-triphenyl-λ4-sulfane
CID 171458512
4-(3-phenylphenyl)-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazole
CID 171458634
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
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118231228
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
4-[9-(3,4-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386054
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[3-(9-phenylcarbazol-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-[4-(9-phenylcarbazol-4-yl)phenyl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]carbazole
CID 157490123
9-(3,4-diphenylphenyl)-4-[9-(3,4-diphenylphenyl)carbazol-4-yl]carbazole
CID 165386118
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345

Frequently Asked Questions

What is the IUPAC name of triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane?
The IUPAC name of triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane (CID 171458280) is triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane.
What is the SMILES notation for triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane?
The canonical SMILES for triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane is c1ccc(-c2cccc3c2c2ccccc2n3-c2ccc3c4ccccc4n(-c4ccc(S(c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c3c2)cc1.
What is the InChIKey of triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane?
The InChIKey is VNIWHUOKRWPMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2S/c1-5-18-39(19-6-1)46-28-17-31-52-54(46)49-27-14-16-30-51(49)56(52)41-34-37-48-47-26-13-15-29-50(47)55(53(48)38-41)40-32-35-45(36-33-40)57(42-20-7-2-8-21-42,43-22-9-3-10-23-43)44-24-11-4-12-25-44/h1-38H.
What are the key properties of triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane?
triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-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 triphenyl-[4-[2-(4-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]-λ4-sulfane is sourced from PubChem (CID 171458280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).