3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole

C41H26N2S — CID 155793691

IUPAC3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H26N2S/c1-3-12-27(13-4-1)36-25-30(26-37(42-36)28-14-5-2-6-15-28)43-38-20-9-7-16-32(38)35-24-29(22-23-39(35)43)31-18-11-19-34-33-17-8-10-21-40(33)44-41(31)34/h1-26H
InChIKeyWSFASOWDSJJDCX-UHFFFAOYSA-N
MW578.74 g/mol
LogP11.55
Rot. Bonds4

About 3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole

3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole (PubChem CID 155793691) has the molecular formula C41H26N2S and a molecular weight of 578.74 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
PubChem CID155793691
Molecular FormulaC41H26N2S
Molecular Weight578.74 g/mol
Exact Mass578.18
IUPAC Name3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C41H26N2S/c1-3-12-27(13-4-1)36-25-30(26-37(42-36)28-14-5-2-6-15-28)43-38-20-9-7-16-32(38)35-24-29(22-23-39(35)43)31-18-11-19-34-33-17-8-10-21-40(33)44-41(31)34/h1-26H
InChIKeyWSFASOWDSJJDCX-UHFFFAOYSA-N
XLogP11.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.74
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzothiophen-4-yl-9-[3-[6-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 153214639
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole
CID 130417437
9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]carbazole
CID 160961281
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole
CID 87156674
9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
CID 87156475
3-dibenzothiophen-4-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 158682512
3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 160959222
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole (CID 155793691) is 3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole?
The InChIKey is WSFASOWDSJJDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2S/c1-3-12-27(13-4-1)36-25-30(26-37(42-36)28-14-5-2-6-15-28)43-38-20-9-7-16-32(38)35-24-29(22-23-39(35)43)31-18-11-19-34-33-17-8-10-21-40(33)44-41(31)34/h1-26H.
What are the key properties of 3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole?
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole has a molecular weight of 578.74 g/mol, XLogP of 11.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole is sourced from PubChem (CID 155793691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).