3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole

C53H33N3S — CID 126627612

IUPAC3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C53H33N3S/c1-3-14-34(15-4-1)37-32-46(43-22-13-21-42-41-20-9-12-25-51(41)57-53(42)43)54-52(33-37)56-48-24-11-8-19-40(48)45-31-36(27-29-50(45)56)35-26-28-49-44(30-35)39-18-7-10-23-47(39)55(49)38-16-5-2-6-17-38/h1-33H
InChIKeyKLMMSVDYDYVFGA-UHFFFAOYSA-N
MW743.94 g/mol
LogP14.64
Rot. Bonds5

About 3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 126627612) has the molecular formula C53H33N3S and a molecular weight of 743.94 g/mol. Its IUPAC name is 3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID126627612
Molecular FormulaC53H33N3S
Molecular Weight743.94 g/mol
Exact Mass743.24
IUPAC Name3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C53H33N3S/c1-3-14-34(15-4-1)37-32-46(43-22-13-21-42-41-20-9-12-25-51(41)57-53(42)43)54-52(33-37)56-48-24-11-8-19-40(48)45-31-36(27-29-50(45)56)35-26-28-49-44(30-35)39-18-7-10-23-47(39)55(49)38-16-5-2-6-17-38/h1-33H
InChIKeyKLMMSVDYDYVFGA-UHFFFAOYSA-N
XLogP14.64
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.94
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 118014177
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
3-dibenzothiophen-4-yl-9-[3-[6-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 153214639
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
3-[9-[3-(6-dibenzofuran-4-yl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[6-(9,9-dimethylfluoren-1-yl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158833192

Frequently Asked Questions

What is the IUPAC name of 3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole (CID 126627612) is 3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3cccc4c3sc3ccccc34)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is KLMMSVDYDYVFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3S/c1-3-14-34(15-4-1)37-32-46(43-22-13-21-42-41-20-9-12-25-51(41)57-53(42)43)54-52(33-37)56-48-24-11-8-19-40(48)45-31-36(27-29-50(45)56)35-26-28-49-44(30-35)39-18-7-10-23-47(39)55(49)38-16-5-2-6-17-38/h1-33H.
What are the key properties of 3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 743.94 g/mol, XLogP of 14.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(6-dibenzothiophen-4-yl-4-phenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 126627612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).