5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole

C36H22N2S — CID 90225193

IUPAC5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc6c5sc5ccccc56)c4cc32)cc1
InChIInChI=1S/C36H22N2S/c1-2-11-23(12-3-1)37-30-17-7-4-13-24(30)28-21-29-25-14-5-8-18-31(25)38(34(29)22-33(28)37)32-19-10-16-27-26-15-6-9-20-35(26)39-36(27)32/h1-22H
InChIKeyOBJIGTBZTDBXQE-UHFFFAOYSA-N
MW514.65 g/mol
LogP10.25
Rot. Bonds2

About 5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole

5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole (PubChem CID 90225193) has the molecular formula C36H22N2S and a molecular weight of 514.65 g/mol. Its IUPAC name is 5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
PubChem CID90225193
Molecular FormulaC36H22N2S
Molecular Weight514.65 g/mol
Exact Mass514.15
IUPAC Name5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc6c5sc5ccccc56)c4cc32)cc1
InChIInChI=1S/C36H22N2S/c1-2-11-23(12-3-1)37-30-17-7-4-13-24(30)28-21-29-25-14-5-8-18-31(25)38(34(29)22-33(28)37)32-19-10-16-27-26-15-6-9-20-35(26)39-36(27)32/h1-22H
InChIKeyOBJIGTBZTDBXQE-UHFFFAOYSA-N
XLogP10.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
5-dibenzothiophen-4-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 167243841
3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 118014170
22-dibenzothiophen-4-yl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 122465489
3,9-bis(9-dibenzothiophen-2-ylcarbazol-3-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 159421498
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-triphenylen-2-ylphenyl)carbazole
CID 88878120
5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole
CID 168744298
5-(4-dibenzothiophen-4-ylphenyl)-11-(2-phenylphenyl)indolo[3,2-b]carbazole
CID 126580053
9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
CID 145306738
CID 145306738
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925

Frequently Asked Questions

What is the IUPAC name of 5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole (CID 90225193) is 5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc6c5sc5ccccc56)c4cc32)cc1.
What is the InChIKey of 5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole?
The InChIKey is OBJIGTBZTDBXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2S/c1-2-11-23(12-3-1)37-30-17-7-4-13-24(30)28-21-29-25-14-5-8-18-31(25)38(34(29)22-33(28)37)32-19-10-16-27-26-15-6-9-20-35(26)39-36(27)32/h1-22H.
What are the key properties of 5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole?
5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole has a molecular weight of 514.65 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 90225193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).