triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane

C54H41NS2 — CID 138489099

IUPACtriphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane
SMILESc1ccc(-n2c3ccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(S(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C54H41NS2/c1-8-22-42(23-9-1)55-53-38-36-49(56(43-24-10-2-11-25-43,44-26-12-3-13-27-44)45-28-14-4-15-29-45)40-51(53)52-41-50(37-39-54(52)55)57(46-30-16-5-17-31-46,47-32-18-6-19-33-47)48-34-20-7-21-35-48/h1-41H
InChIKeyMMJIWTAFLSGKDS-UHFFFAOYSA-N
MW768.06 g/mol
LogP15.47
Rot. Bonds9

About triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane

triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane (PubChem CID 138489099) has the molecular formula C54H41NS2 and a molecular weight of 768.06 g/mol. Its IUPAC name is triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane.

Molecular Properties

Compound Nametriphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane
PubChem CID138489099
Molecular FormulaC54H41NS2
Molecular Weight768.06 g/mol
Exact Mass767.27
IUPAC Nametriphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane
SMILESc1ccc(-n2c3ccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(S(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C54H41NS2/c1-8-22-42(23-9-1)55-53-38-36-49(56(43-24-10-2-11-25-43,44-26-12-3-13-27-44)45-28-14-4-15-29-45)40-51(53)52-41-50(37-39-54(52)55)57(46-30-16-5-17-31-46,47-32-18-6-19-33-47)48-34-20-7-21-35-48/h1-41H
InChIKeyMMJIWTAFLSGKDS-UHFFFAOYSA-N
XLogP15.47
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.06
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

triphenyl-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-λ4-sulfane
CID 167052172
diphenyl-[3-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]-triphenylen-2-yl-λ4-sulfane
CID 163745728
triphenyl-[6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]naphthalen-2-yl]-λ4-sulfane
CID 156571418
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
[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]-triphenyl-λ4-sulfane;ethane
CID 145345114
[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)-λ4-sulfane
CID 155299501
dioxido-(9-phenylcarbazol-3-yl)borane
CID 86629095
carbazol-9-yl-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-(4-carbazol-9-ylphenyl)-phenyl-λ4-sulfane
CID 175633031
[11-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[3,2-b]carbazol-2-yl]-triphenyl-λ4-sulfane
CID 126591239
[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)-λ4-sulfane
CID 166588186
3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole
CID 165401549
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670

Frequently Asked Questions

What is the IUPAC name of triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane?
The IUPAC name of triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane (CID 138489099) is triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane.
What is the SMILES notation for triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane?
The canonical SMILES for triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane is c1ccc(-n2c3ccc(S(c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(S(c4ccccc4)(c4ccccc4)c4ccccc4)ccc32)cc1.
What is the InChIKey of triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane?
The InChIKey is MMJIWTAFLSGKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41NS2/c1-8-22-42(23-9-1)55-53-38-36-49(56(43-24-10-2-11-25-43,44-26-12-3-13-27-44)45-28-14-4-15-29-45)40-51(53)52-41-50(37-39-54(52)55)57(46-30-16-5-17-31-46,47-32-18-6-19-33-47)48-34-20-7-21-35-48/h1-41H.
What are the key properties of triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane?
triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane has a molecular weight of 768.06 g/mol, XLogP of 15.47, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[9-phenyl-6-(triphenyl-λ4-sulfanyl)carbazol-3-yl]-λ4-sulfane is sourced from PubChem (CID 138489099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).