9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole

C42H27NS — CID 166037348

IUPAC9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2cccc(-c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C42H27NS/c1-2-12-28(13-3-1)29-24-25-39-36(27-29)34-17-5-8-21-38(34)43(39)37-20-7-4-16-32(37)30-14-10-15-31(26-30)33-19-11-23-41-42(33)35-18-6-9-22-40(35)44-41/h1-27H
InChIKeyPKSNBVUATQATGI-UHFFFAOYSA-N
MW577.75 g/mol
LogP12.15
Rot. Bonds4

About 9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole

9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole (PubChem CID 166037348) has the molecular formula C42H27NS and a molecular weight of 577.75 g/mol. Its IUPAC name is 9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
PubChem CID166037348
Molecular FormulaC42H27NS
Molecular Weight577.75 g/mol
Exact Mass577.19
IUPAC Name9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2cccc(-c3cccc4sc5ccccc5c34)c2)cc1
InChIInChI=1S/C42H27NS/c1-2-12-28(13-3-1)29-24-25-39-36(27-29)34-17-5-8-21-38(34)43(39)37-20-7-4-16-32(37)30-14-10-15-31(26-30)33-19-11-23-41-42(33)35-18-6-9-22-40(35)44-41/h1-27H
InChIKeyPKSNBVUATQATGI-UHFFFAOYSA-N
XLogP12.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.75
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole
CID 167289270
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 158837485
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole
CID 118534297

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole?
The IUPAC name of 9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole (CID 166037348) is 9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole.
What is the SMILES notation for 9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole?
The canonical SMILES for 9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2cccc(-c3cccc4sc5ccccc5c34)c2)cc1.
What is the InChIKey of 9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole?
The InChIKey is PKSNBVUATQATGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS/c1-2-12-28(13-3-1)29-24-25-39-36(27-29)34-17-5-8-21-38(34)43(39)37-20-7-4-16-32(37)30-14-10-15-31(26-30)33-19-11-23-41-42(33)35-18-6-9-22-40(35)44-41/h1-27H.
What are the key properties of 9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole?
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole has a molecular weight of 577.75 g/mol, XLogP of 12.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole is sourced from PubChem (CID 166037348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).