9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole

C48H31NS — CID 177079249

IUPAC9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c(-c3ccccc3)c(-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C48H31NS/c1-3-15-32(16-4-1)35-30-42(34-19-13-20-36(29-34)49-44-26-10-7-21-37(44)38-22-8-11-27-45(38)49)47(33-17-5-2-6-18-33)43(31-35)41-25-14-24-40-39-23-9-12-28-46(39)50-48(40)41/h1-31H
InChIKeyAQEPVMPMXXYWIQ-UHFFFAOYSA-N
MW653.85 g/mol
LogP13.82
Rot. Bonds5

About 9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole

9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole (PubChem CID 177079249) has the molecular formula C48H31NS and a molecular weight of 653.85 g/mol. Its IUPAC name is 9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole
PubChem CID177079249
Molecular FormulaC48H31NS
Molecular Weight653.85 g/mol
Exact Mass653.22
IUPAC Name9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c(-c3ccccc3)c(-c3cccc4c3sc3ccccc34)c2)cc1
InChIInChI=1S/C48H31NS/c1-3-15-32(16-4-1)35-30-42(34-19-13-20-36(29-34)49-44-26-10-7-21-37(44)38-22-8-11-27-45(38)49)47(33-17-5-2-6-18-33)43(31-35)41-25-14-24-40-39-23-9-12-28-46(39)50-48(40)41/h1-31H
InChIKeyAQEPVMPMXXYWIQ-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-(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-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
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-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156348
2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87156373
2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-di(dibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[3-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 161294755
9-[3-[6-(3-carbazol-9-ylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
CID 140627731

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole?
The IUPAC name of 9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole (CID 177079249) is 9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole?
The canonical SMILES for 9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c(-c3ccccc3)c(-c3cccc4c3sc3ccccc34)c2)cc1.
What is the InChIKey of 9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole?
The InChIKey is AQEPVMPMXXYWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NS/c1-3-15-32(16-4-1)35-30-42(34-19-13-20-36(29-34)49-44-26-10-7-21-37(44)38-22-8-11-27-45(38)49)47(33-17-5-2-6-18-33)43(31-35)41-25-14-24-40-39-23-9-12-28-46(39)50-48(40)41/h1-31H.
What are the key properties of 9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole?
9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)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-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole is sourced from PubChem (CID 177079249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).