3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole

C47H31N3O2S — CID 134237363

IUPAC3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole
SMILESO=S(=O)(c1ccccc1)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n1
InChIInChI=1S/C47H31N3O2S/c51-53(52,37-18-8-3-9-19-37)47-31-34(32-24-26-45-40(28-32)38-20-10-12-22-43(38)49(45)35-14-4-1-5-15-35)30-42(48-47)33-25-27-46-41(29-33)39-21-11-13-23-44(39)50(46)36-16-6-2-7-17-36/h1-31H
InChIKeyQKFBFXKDNFDLRZ-UHFFFAOYSA-N
MW701.85 g/mol
LogP11.44
Rot. Bonds6

About 3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole

3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole (PubChem CID 134237363) has the molecular formula C47H31N3O2S and a molecular weight of 701.85 g/mol. Its IUPAC name is 3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole
PubChem CID134237363
Molecular FormulaC47H31N3O2S
Molecular Weight701.85 g/mol
Exact Mass701.21
IUPAC Name3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole
SMILESO=S(=O)(c1ccccc1)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n1
InChIInChI=1S/C47H31N3O2S/c51-53(52,37-18-8-3-9-19-37)47-31-34(32-24-26-45-40(28-32)38-20-10-12-22-43(38)49(45)35-14-4-1-5-15-35)30-42(48-47)33-25-27-46-41(29-33)39-21-11-13-23-44(39)50(46)36-16-6-2-7-17-36/h1-31H
InChIKeyQKFBFXKDNFDLRZ-UHFFFAOYSA-N
XLogP11.44
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.85
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole
CID 165401549
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300
9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 118033411
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-phenylcarbazole;2-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161363967
3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 71286941
9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
2-[3-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149380
3-carbazol-9-yl-9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(9-phenylcarbazol-3-yl)carbazole
CID 162231924

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole?
The IUPAC name of 3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole (CID 134237363) is 3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole is O=S(=O)(c1ccccc1)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)n1.
What is the InChIKey of 3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole?
The InChIKey is QKFBFXKDNFDLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O2S/c51-53(52,37-18-8-3-9-19-37)47-31-34(32-24-26-45-40(28-32)38-20-10-12-22-43(38)49(45)35-14-4-1-5-15-35)30-42(48-47)33-25-27-46-41(29-33)39-21-11-13-23-44(39)50(46)36-16-6-2-7-17-36/h1-31H.
What are the key properties of 3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole?
3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole has a molecular weight of 701.85 g/mol, XLogP of 11.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole is sourced from PubChem (CID 134237363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).