9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole

C52H32N4O3S — CID 71277929

IUPAC9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole
SMILESO=S(=O)(c1ccc2c(c1)c1cc(-c3ccccn3)ccc1n2-c1ccc2oc3c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cccc3c2c1)c1ccccn1
InChIInChI=1S/C52H32N4O3S/c57-60(58,51-20-6-8-28-54-51)37-23-25-49-43(32-37)42-30-34(45-17-5-7-27-53-45)21-24-48(42)56(49)36-22-26-50-44(31-36)41-16-10-15-38(52(41)59-50)33-11-9-12-35(29-33)55-46-18-3-1-13-39(46)40-14-2-4-19-47(40)55/h1-32H
InChIKeyPCRLEGJLGFZPSM-UHFFFAOYSA-N
MW792.92 g/mol
LogP12.74
Rot. Bonds6

About 9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole

9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole (PubChem CID 71277929) has the molecular formula C52H32N4O3S and a molecular weight of 792.92 g/mol. Its IUPAC name is 9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole.

Molecular Properties

Compound Name9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole
PubChem CID71277929
Molecular FormulaC52H32N4O3S
Molecular Weight792.92 g/mol
Exact Mass792.22
IUPAC Name9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole
SMILESO=S(=O)(c1ccc2c(c1)c1cc(-c3ccccn3)ccc1n2-c1ccc2oc3c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cccc3c2c1)c1ccccn1
InChIInChI=1S/C52H32N4O3S/c57-60(58,51-20-6-8-28-54-51)37-23-25-49-43(32-37)42-30-34(45-17-5-7-27-53-45)21-24-48(42)56(49)36-22-26-50-44(31-36)41-16-10-15-38(52(41)59-50)33-11-9-12-35(29-33)55-46-18-3-1-13-39(46)40-14-2-4-19-47(40)55/h1-32H
InChIKeyPCRLEGJLGFZPSM-UHFFFAOYSA-N
XLogP12.74
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.92
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-9-yl]dibenzofuran-2-yl]carbazole;3-(8-carbazol-9-yldibenzofuran-2-yl)-9-[2-(3-phenyl-2-pyridinyl)phenyl]carbazole;9-[8-(3,6-dipyridin-2-ylcarbazol-9-yl)dibenzofuran-2-yl]-3,6-dipyridin-2-ylcarbazole;9-phenyl-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 161188676
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
3-dibenzothiophen-2-yl-9-[3-[8-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 71278025
9-(6-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080693
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296

Frequently Asked Questions

What is the IUPAC name of 9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole?
The IUPAC name of 9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole (CID 71277929) is 9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole.
What is the SMILES notation for 9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole?
The canonical SMILES for 9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole is O=S(=O)(c1ccc2c(c1)c1cc(-c3ccccn3)ccc1n2-c1ccc2oc3c(-c4cccc(-n5c6ccccc6c6ccccc65)c4)cccc3c2c1)c1ccccn1.
What is the InChIKey of 9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole?
The InChIKey is PCRLEGJLGFZPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O3S/c57-60(58,51-20-6-8-28-54-51)37-23-25-49-43(32-37)42-30-34(45-17-5-7-27-53-45)21-24-48(42)56(49)36-22-26-50-44(31-36)41-16-10-15-38(52(41)59-50)33-11-9-12-35(29-33)55-46-18-3-1-13-39(46)40-14-2-4-19-47(40)55/h1-32H.
What are the key properties of 9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole?
9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole has a molecular weight of 792.92 g/mol, XLogP of 12.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-pyridin-2-ylsulfonylcarbazole is sourced from PubChem (CID 71277929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).