10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole

C50H32N2S — CID 118315528

IUPAC10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3ccc4c3ccc3c5ccccc5n(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c34)c2)cc1
InChIInChI=1S/C50H32N2S/c1-3-12-33(13-4-1)36-30-37(34-14-5-2-6-15-34)32-39(31-36)51-29-28-45-46(51)27-26-43-41-16-7-9-20-47(41)52(49(43)45)38-24-22-35(23-25-38)40-18-11-19-44-42-17-8-10-21-48(42)53-50(40)44/h1-32H
InChIKeySFILMUMSEPKOAX-UHFFFAOYSA-N
MW692.89 g/mol
LogP14.10
Rot. Bonds5

About 10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole

10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole (PubChem CID 118315528) has the molecular formula C50H32N2S and a molecular weight of 692.89 g/mol. Its IUPAC name is 10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
PubChem CID118315528
Molecular FormulaC50H32N2S
Molecular Weight692.89 g/mol
Exact Mass692.23
IUPAC Name10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3ccc4c3ccc3c5ccccc5n(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c34)c2)cc1
InChIInChI=1S/C50H32N2S/c1-3-12-33(13-4-1)36-30-37(34-14-5-2-6-15-34)32-39(31-36)51-29-28-45-46(51)27-26-43-41-16-7-9-20-47(41)52(49(43)45)38-24-22-35(23-25-38)40-18-11-19-44-42-17-8-10-21-48(42)53-50(40)44/h1-32H
InChIKeySFILMUMSEPKOAX-UHFFFAOYSA-N
XLogP14.10
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.89
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315552
10-(4-dibenzofuran-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315527
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 118502961
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
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
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
3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011

Frequently Asked Questions

What is the IUPAC name of 10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole?
The IUPAC name of 10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole (CID 118315528) is 10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole?
The canonical SMILES for 10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3ccc4c3ccc3c5ccccc5n(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)c34)c2)cc1.
What is the InChIKey of 10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole?
The InChIKey is SFILMUMSEPKOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2S/c1-3-12-33(13-4-1)36-30-37(34-14-5-2-6-15-34)32-39(31-36)51-29-28-45-46(51)27-26-43-41-16-7-9-20-47(41)52(49(43)45)38-24-22-35(23-25-38)40-18-11-19-44-42-17-8-10-21-48(42)53-50(40)44/h1-32H.
What are the key properties of 10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole?
10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole has a molecular weight of 692.89 g/mol, XLogP of 14.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-dibenzothiophen-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 118315528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).