9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole

C54H32N2S2 — CID 170072891

IUPAC9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
SMILESc1ccc(-c2cccc3c2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C54H32N2S2/c1-2-11-33(12-3-1)38-16-10-18-49-54(38)45-30-35(22-26-48(45)56(49)37-24-28-53-44(32-37)41-15-6-9-20-51(41)58-53)34-21-25-47-42(29-34)39-13-4-7-17-46(39)55(47)36-23-27-52-43(31-36)40-14-5-8-19-50(40)57-52/h1-32H
InChIKeySNPWXMIZYXSOGV-UHFFFAOYSA-N
MW773.00 g/mol
LogP15.95
Rot. Bonds4

About 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole

9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole (PubChem CID 170072891) has the molecular formula C54H32N2S2 and a molecular weight of 773.00 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
PubChem CID170072891
Molecular FormulaC54H32N2S2
Molecular Weight773.00 g/mol
Exact Mass772.20
IUPAC Name9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
SMILESc1ccc(-c2cccc3c2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C54H32N2S2/c1-2-11-33(12-3-1)38-16-10-18-49-54(38)45-30-35(22-26-48(45)56(49)37-24-28-53-44(32-37)41-15-6-9-20-51(41)58-53)34-21-25-47-42(29-34)39-13-4-7-17-46(39)55(47)36-23-27-52-43(31-36)40-14-5-8-19-50(40)57-52/h1-32H
InChIKeySNPWXMIZYXSOGV-UHFFFAOYSA-N
XLogP15.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.00
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-dibenzothiophen-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072885
3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(3-phenylphenyl)carbazole
CID 165386154
9-dibenzothiophen-3-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170072881
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
9-dibenzothiophen-2-yl-3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazole
CID 164756625
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylcarbazole
CID 163988724
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
6-(9-dibenzothiophen-2-ylcarbazol-3-yl)-1-phenyl-9-(2-phenylphenyl)carbazole
CID 170072459
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
CID 144619443
CID 144619443

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole?
The IUPAC name of 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole (CID 170072891) is 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole.
What is the SMILES notation for 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole?
The canonical SMILES for 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole is c1ccc(-c2cccc3c2c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)ccc2n3-c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole?
The InChIKey is SNPWXMIZYXSOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2S2/c1-2-11-33(12-3-1)38-16-10-18-49-54(38)45-30-35(22-26-48(45)56(49)37-24-28-53-44(32-37)41-15-6-9-20-51(41)58-53)34-21-25-47-42(29-34)39-13-4-7-17-46(39)55(47)36-23-27-52-43(31-36)40-14-5-8-19-50(40)57-52/h1-32H.
What are the key properties of 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole?
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole has a molecular weight of 773.00 g/mol, XLogP of 15.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole is sourced from PubChem (CID 170072891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).