triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane

C48H34N2S — CID 167052172

IUPACtriphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(S(c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)ccc32)cc1
InChIInChI=1S/C48H34N2S/c1-5-17-35(18-6-1)49-45-27-15-13-25-41(45)43-33-36(29-31-47(43)49)50-46-28-16-14-26-42(46)44-34-40(30-32-48(44)50)51(37-19-7-2-8-20-37,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-34H
InChIKeyWXUDJQZAECZVKG-UHFFFAOYSA-N
MW670.88 g/mol
LogP13.22
Rot. Bonds6

About triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane

triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane (PubChem CID 167052172) has the molecular formula C48H34N2S and a molecular weight of 670.88 g/mol. Its IUPAC name is triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane.

Molecular Properties

Compound Nametriphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane
PubChem CID167052172
Molecular FormulaC48H34N2S
Molecular Weight670.88 g/mol
Exact Mass670.24
IUPAC Nametriphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(S(c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)ccc32)cc1
InChIInChI=1S/C48H34N2S/c1-5-17-35(18-6-1)49-45-27-15-13-25-41(45)43-33-36(29-31-47(43)49)50-46-28-16-14-26-42(46)44-34-40(30-32-48(44)50)51(37-19-7-2-8-20-37,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-34H
InChIKeyWXUDJQZAECZVKG-UHFFFAOYSA-N
XLogP13.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.88
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane
CID 138489099
[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane
CID 145345114
diphenyl-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-triphenylen-2-yl-λ4-sulfane
CID 163745728
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane
CID 175633031
triphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane
CID 156571418
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
diphenyl-(9-phenylcarbazol-3-yl)-[4-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-λ4-sulfane
CID 170248955
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane
CID 155299501
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

Frequently Asked Questions

What is the IUPAC name of triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane?
The IUPAC name of triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane (CID 167052172) is triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane.
What is the SMILES notation for triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane?
The canonical SMILES for triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(S(c6ccccc6)(c6ccccc6)c6ccccc6)ccc54)ccc32)cc1.
What is the InChIKey of triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane?
The InChIKey is WXUDJQZAECZVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2S/c1-5-17-35(18-6-1)49-45-27-15-13-25-41(45)43-33-36(29-31-47(43)49)50-46-28-16-14-26-42(46)44-34-40(30-32-48(44)50)51(37-19-7-2-8-20-37,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-34H.
What are the key properties of triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane?
triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane has a molecular weight of 670.88 g/mol, XLogP of 13.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane is sourced from PubChem (CID 167052172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).