10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole

C50H32N2S — CID 118316007

IUPAC10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4c3sc3c(-c5ccc(-n6ccc7ccc8c9ccccc9n(-c9ccccc9)c8c76)cc5)cccc34)cc2)cc1
InChIInChI=1S/C50H32N2S/c1-3-11-33(12-4-1)34-21-23-35(24-22-34)40-16-9-18-44-45-19-10-17-41(50(45)53-49(40)44)36-25-28-38(29-26-36)51-32-31-37-27-30-43-42-15-7-8-20-46(42)52(48(43)47(37)51)39-13-5-2-6-14-39/h1-32H
InChIKeyCOEKIJLNXDOTAO-UHFFFAOYSA-N
MW692.89 g/mol
LogP14.10
Rot. Bonds5

About 10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole

10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole (PubChem CID 118316007) has the molecular formula C50H32N2S and a molecular weight of 692.89 g/mol. Its IUPAC name is 10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole
PubChem CID118316007
Molecular FormulaC50H32N2S
Molecular Weight692.89 g/mol
Exact Mass692.23
IUPAC Name10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4c3sc3c(-c5ccc(-n6ccc7ccc8c9ccccc9n(-c9ccccc9)c8c76)cc5)cccc34)cc2)cc1
InChIInChI=1S/C50H32N2S/c1-3-11-33(12-4-1)34-21-23-35(24-22-34)40-16-9-18-44-45-19-10-17-41(50(45)53-49(40)44)36-25-28-38(29-26-36)51-32-31-37-27-30-43-42-15-7-8-20-46(42)52(48(43)47(37)51)39-13-5-2-6-14-39/h1-32H
InChIKeyCOEKIJLNXDOTAO-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-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315994
1-(3,5-diphenylphenyl)-10-[4-[4-[1-(3,5-diphenylphenyl)pyrrolo[2,3-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[2,3-a]carbazole
CID 90090913
1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315161
1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 90090982
10-(3,5-diphenylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 90371617
1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole
CID 123457400
1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409
10-(4-anthracen-9-ylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 118315120
10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole
CID 90062413
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
1-phenyl-10-[4-(4-phenylphenyl)-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole
CID 90091343
12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 142481953

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole?
The IUPAC name of 10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole (CID 118316007) is 10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole?
The canonical SMILES for 10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3cccc4c3sc3c(-c5ccc(-n6ccc7ccc8c9ccccc9n(-c9ccccc9)c8c76)cc5)cccc34)cc2)cc1.
What is the InChIKey of 10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole?
The InChIKey is COEKIJLNXDOTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2S/c1-3-11-33(12-4-1)34-21-23-35(24-22-34)40-16-9-18-44-45-19-10-17-41(50(45)53-49(40)44)36-25-28-38(29-26-36)51-32-31-37-27-30-43-42-15-7-8-20-46(42)52(48(43)47(37)51)39-13-5-2-6-14-39/h1-32H.
What are the key properties of 10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole?
10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-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-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 118316007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).