3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole

C54H36N2S — CID 165075520

IUPAC3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole
SMILESc1ccc(Sc2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccccc7)c6)ccc54)cc3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-3-12-37(13-4-1)40-14-11-15-44(34-40)56-52-21-10-8-19-48(52)50-36-42(27-33-54(50)56)41-26-32-53-49(35-41)47-18-7-9-20-51(47)55(53)43-28-22-38(23-29-43)39-24-30-46(31-25-39)57-45-16-5-2-6-17-45/h1-36H
InChIKeyZWWUHUUDFZMHEV-UHFFFAOYSA-N
MW744.96 g/mol
LogP15.03
Rot. Bonds7

About 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole

3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole (PubChem CID 165075520) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole
PubChem CID165075520
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC Name3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole
SMILESc1ccc(Sc2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccccc7)c6)ccc54)cc3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-3-12-37(13-4-1)40-14-11-15-44(34-40)56-52-21-10-8-19-48(52)50-36-42(27-33-54(50)56)41-26-32-53-49(35-41)47-18-7-9-20-51(47)55(53)43-28-22-38(23-29-43)39-24-30-46(31-25-39)57-45-16-5-2-6-17-45/h1-36H
InChIKeyZWWUHUUDFZMHEV-UHFFFAOYSA-N
XLogP15.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590628
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590474
3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590783
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole
CID 71232722
2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162164191

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole?
The IUPAC name of 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole (CID 165075520) is 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole.
What is the SMILES notation for 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole?
The canonical SMILES for 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole is c1ccc(Sc2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccccc7)c6)ccc54)cc3)cc2)cc1.
What is the InChIKey of 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole?
The InChIKey is ZWWUHUUDFZMHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-3-12-37(13-4-1)40-14-11-15-44(34-40)56-52-21-10-8-19-48(52)50-36-42(27-33-54(50)56)41-26-32-53-49(35-41)47-18-7-9-20-51(47)55(53)43-28-22-38(23-29-43)39-24-30-46(31-25-39)57-45-16-5-2-6-17-45/h1-36H.
What are the key properties of 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole?
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole has a molecular weight of 744.96 g/mol, XLogP of 15.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole is sourced from PubChem (CID 165075520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).