9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole

C48H31NS — CID 67121574

IUPAC9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
SMILESc1cc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)c1
InChIInChI=1S/C48H31NS/c1-4-25-45-41(20-1)42-21-2-5-26-46(42)49(45)39-19-10-17-37(31-39)35-15-8-13-33(29-35)32-12-7-14-34(28-32)36-16-9-18-38(30-36)40-23-11-24-44-43-22-3-6-27-47(43)50-48(40)44/h1-31H
InChIKeyYFVQZEKMQSAYMQ-UHFFFAOYSA-N
MW653.85 g/mol
LogP13.82
Rot. Bonds5

About 9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole

9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole (PubChem CID 67121574) has the molecular formula C48H31NS and a molecular weight of 653.85 g/mol. Its IUPAC name is 9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
PubChem CID67121574
Molecular FormulaC48H31NS
Molecular Weight653.85 g/mol
Exact Mass653.22
IUPAC Name9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
SMILESc1cc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)c1
InChIInChI=1S/C48H31NS/c1-4-25-45-41(20-1)42-21-2-5-26-46(42)49(45)39-19-10-17-37(31-39)35-15-8-13-33(29-35)32-12-7-14-34(28-32)36-16-9-18-38(30-36)40-23-11-24-44-43-22-3-6-27-47(43)50-48(40)44/h1-31H
InChIKeyYFVQZEKMQSAYMQ-UHFFFAOYSA-N
XLogP13.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.85
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
bis(3-carbazol-9-ylphenyl)-diphenylsilane;9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 161133194
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-carbazol-9-yl-9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]pyrido[3,4-b]indole
CID 70847777
7-(3-carbazol-9-ylphenyl)-10-(3-dibenzothiophen-4-ylphenyl)phenanthro[9,10-b]pyrazine
CID 89417098
6-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridine
CID 59413694
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole (CID 67121574) is 9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole is c1cc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)c1.
What is the InChIKey of 9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole?
The InChIKey is YFVQZEKMQSAYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NS/c1-4-25-45-41(20-1)42-21-2-5-26-46(42)49(45)39-19-10-17-37(31-39)35-15-8-13-33(29-35)32-12-7-14-34(28-32)36-16-9-18-38(30-36)40-23-11-24-44-43-22-3-6-27-47(43)50-48(40)44/h1-31H.
What are the key properties of 9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole?
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole has a molecular weight of 653.85 g/mol, XLogP of 13.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 67121574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).