2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole

C46H28N2S — CID 167243996

IUPAC2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C46H28N2S/c1-2-12-33(13-3-1)47-43-22-19-32(26-38(43)39-24-29-10-4-5-11-30(29)27-44(39)47)31-18-21-42-37(25-31)35-14-6-8-16-41(35)48(42)34-20-23-46-40(28-34)36-15-7-9-17-45(36)49-46/h1-28H
InChIKeyMNMDNMYUZUMYAR-UHFFFAOYSA-N
MW640.81 g/mol
LogP13.07
Rot. Bonds3

About 2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole

2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole (PubChem CID 167243996) has the molecular formula C46H28N2S and a molecular weight of 640.81 g/mol. Its IUPAC name is 2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole.

Molecular Properties

Compound Name2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
PubChem CID167243996
Molecular FormulaC46H28N2S
Molecular Weight640.81 g/mol
Exact Mass640.20
IUPAC Name2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc3c3cc4ccccc4cc32)cc1
InChIInChI=1S/C46H28N2S/c1-2-12-33(13-3-1)47-43-22-19-32(26-38(43)39-24-29-10-4-5-11-30(29)27-44(39)47)31-18-21-42-37(25-31)35-14-6-8-16-41(35)48(42)34-20-23-46-40(28-34)36-15-7-9-17-45(36)49-46/h1-28H
InChIKeyMNMDNMYUZUMYAR-UHFFFAOYSA-N
XLogP13.07
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.81
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
CID 144619443
CID 144619443
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552439
3-(8-carbazol-9-yldibenzothiophen-2-yl)-9-phenylcarbazole;ethane;methanethiol
CID 144644614
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
CID 161384804

Frequently Asked Questions

What is the IUPAC name of 2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole?
The IUPAC name of 2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole (CID 167243996) is 2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole.
What is the SMILES notation for 2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole?
The canonical SMILES for 2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc3c3cc4ccccc4cc32)cc1.
What is the InChIKey of 2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole?
The InChIKey is MNMDNMYUZUMYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2S/c1-2-12-33(13-3-1)47-43-22-19-32(26-38(43)39-24-29-10-4-5-11-30(29)27-44(39)47)31-18-21-42-37(25-31)35-14-6-8-16-41(35)48(42)34-20-23-46-40(28-34)36-15-7-9-17-45(36)49-46/h1-28H.
What are the key properties of 2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole?
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole has a molecular weight of 640.81 g/mol, XLogP of 13.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole is sourced from PubChem (CID 167243996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).