2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole

C54H34N2S — CID 166510060

IUPAC2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5ccc(-c6cccc7sc8ccccc8c67)cc5)cc4)cc32)cc1
InChIInChI=1S/C54H34N2S/c1-2-12-39(13-3-1)56-47-19-7-4-14-43(47)44-33-30-38(34-50(44)56)42-17-10-21-49-53(42)45-15-5-8-20-48(45)55(49)40-31-28-36(29-32-40)35-24-26-37(27-25-35)41-18-11-23-52-54(41)46-16-6-9-22-51(46)57-52/h1-34H
InChIKeyKQPBCGJRVSVSAF-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.25
Rot. Bonds5

About 2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole

2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole (PubChem CID 166510060) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is 2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
PubChem CID166510060
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC Name2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5ccc(-c6cccc7sc8ccccc8c67)cc5)cc4)cc32)cc1
InChIInChI=1S/C54H34N2S/c1-2-12-39(13-3-1)56-47-19-7-4-14-43(47)44-33-30-38(34-50(44)56)42-17-10-21-49-53(42)45-15-5-8-20-48(45)55(49)40-31-28-36(29-32-40)35-24-26-37(27-25-35)41-18-11-23-52-54(41)46-16-6-9-22-51(46)57-52/h1-34H
InChIKeyKQPBCGJRVSVSAF-UHFFFAOYSA-N
XLogP15.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.95
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510069
2-[9-(3-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510074
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510
9-(4-dibenzothiophen-1-ylphenyl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961071
2-[9-(2-dibenzothiophen-2-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510089
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118231228
2-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]-[1]benzothiolo[3,2-e][1,3]benzothiazole
CID 167452874
2-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole;2-dibenzothiophen-4-yl-9-(4-phenylphenyl)carbazole;4-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 157492203
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
4-(9-phenylcarbazol-2-yl)-9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]carbazole;4-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 157394578
N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009610
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole (CID 166510060) is 2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4ccc(-c5ccc(-c6cccc7sc8ccccc8c67)cc5)cc4)cc32)cc1.
What is the InChIKey of 2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole?
The InChIKey is KQPBCGJRVSVSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-2-12-39(13-3-1)56-47-19-7-4-14-43(47)44-33-30-38(34-50(44)56)42-17-10-21-49-53(42)45-15-5-8-20-48(45)55(49)40-31-28-36(29-32-40)35-24-26-37(27-25-35)41-18-11-23-52-54(41)46-16-6-9-22-51(46)57-52/h1-34H.
What are the key properties of 2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole?
2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole has a molecular weight of 742.95 g/mol, XLogP of 15.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 166510060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).