2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole

C54H34N2S — CID 146490719

IUPAC2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc43)c3sc4ccccc4c23)cc1
InChIInChI=1S/C54H34N2S/c1-3-16-35(17-4-1)38-20-7-8-21-40(38)44-32-33-49(54-52(44)46-24-11-14-29-51(46)57-54)56-48-28-13-9-22-41(48)43-31-30-36(34-50(43)56)39-25-15-26-45-42-23-10-12-27-47(42)55(53(39)45)37-18-5-2-6-19-37/h1-34H
InChIKeyJUWOMBHXDCEHNK-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.25
Rot. Bonds5

About 2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole

2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole (PubChem CID 146490719) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole.

Molecular Properties

Compound Name2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
PubChem CID146490719
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC Name2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc43)c3sc4ccccc4c23)cc1
InChIInChI=1S/C54H34N2S/c1-3-16-35(17-4-1)38-20-7-8-21-40(38)44-32-33-49(54-52(44)46-24-11-14-29-51(46)57-54)56-48-28-13-9-22-41(48)43-31-30-36(34-50(43)56)39-25-15-26-45-42-23-10-12-27-47(42)55(53(39)45)37-18-5-2-6-19-37/h1-34H
InChIKeyJUWOMBHXDCEHNK-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

4-[9-(4-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 162489007
3-(9-phenylcarbazol-2-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 146490880
2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 162488955
2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;2-[9-(2-phenylphenyl)carbazol-3-yl]-9-[1-(2-phenylphenyl)dibenzofuran-4-yl]carbazole;4-[9-(3-phenylphenyl)carbazol-1-yl]-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 163614283
2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146490875
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 167378774
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
12-naphthalen-1-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-6-(9-phenylcarbazol-1-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-6-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-a]carbazole;12-phenyl-6-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-a]carbazole
CID 159358561
10-phenyl-9-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 164827876
2,4-diphenyl-9-[4-(9-phenylcarbazol-1-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine;2,4-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 159691054
5-[1-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155039621
9-(2-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827815

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole?
The IUPAC name of 2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole (CID 146490719) is 2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole.
What is the SMILES notation for 2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole?
The canonical SMILES for 2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole is c1ccc(-c2ccccc2-c2ccc(-n3c4ccccc4c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc43)c3sc4ccccc4c23)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole?
The InChIKey is JUWOMBHXDCEHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-3-16-35(17-4-1)38-20-7-8-21-40(38)44-32-33-49(54-52(44)46-24-11-14-29-51(46)57-54)56-48-28-13-9-22-41(48)43-31-30-36(34-50(43)56)39-25-15-26-45-42-23-10-12-27-47(42)55(53(39)45)37-18-5-2-6-19-37/h1-34H.
What are the key properties of 2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole?
2-(9-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole 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-phenylcarbazol-1-yl)-9-[1-(2-phenylphenyl)dibenzothiophen-4-yl]carbazole is sourced from PubChem (CID 146490719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).