9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole

C40H26N4O4S2 — CID 145186154

IUPAC9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole
SMILESO=S(=O)(c1ccccc1)c1nc(-n2c3ccccc3c3ccccc32)c(S(=O)(=O)c2ccccc2)nc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C40H26N4O4S2/c45-49(46,27-15-3-1-4-16-27)39-37(43-33-23-11-7-19-29(33)30-20-8-12-24-34(30)43)42-40(50(47,48)28-17-5-2-6-18-28)38(41-39)44-35-25-13-9-21-31(35)32-22-10-14-26-36(32)44/h1-26H
InChIKeyCZCZFJCOPWGDQS-UHFFFAOYSA-N
MW690.81 g/mol
LogP8.34
Rot. Bonds6

About 9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole

9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole (PubChem CID 145186154) has the molecular formula C40H26N4O4S2 and a molecular weight of 690.81 g/mol. Its IUPAC name is 9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole.

Molecular Properties

Compound Name9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole
PubChem CID145186154
Molecular FormulaC40H26N4O4S2
Molecular Weight690.81 g/mol
Exact Mass690.14
IUPAC Name9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole
SMILESO=S(=O)(c1ccccc1)c1nc(-n2c3ccccc3c3ccccc32)c(S(=O)(=O)c2ccccc2)nc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C40H26N4O4S2/c45-49(46,27-15-3-1-4-16-27)39-37(43-33-23-11-7-19-29(33)30-20-8-12-24-34(30)43)42-40(50(47,48)28-17-5-2-6-18-28)38(41-39)44-35-25-13-9-21-31(35)32-22-10-14-26-36(32)44/h1-26H
InChIKeyCZCZFJCOPWGDQS-UHFFFAOYSA-N
XLogP8.34
TPSA103.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-[4-(benzenesulfonyl)phenyl]carbazole
CID 132916142
9-[4-[4-(benzenesulfonyl)phenyl]phenyl]carbazole
CID 122679743
3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine
CID 162236162
3-[4-(benzenesulfonyl)phenyl]-9-phenylcarbazole
CID 165401549
9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
CID 122400298
4,5,15,16-tetrakis(benzenesulfonyl)-3,6,14,17-tetrazahexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(23),2(7),3,5,8(24),9,11,13(18),14,16,19,21-dodecaene
CID 58835712
2,3-bis(benzenesulfonyl)quinoxaline
CID 6612515
3-[2-(benzenesulfonyl)-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]-9-phenylcarbazole
CID 134237363
3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine
CID 134790991
9-[9-[4-[4-[3-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]sulfonylphenyl]carbazol-3-yl]-3,6-diphenylcarbazole
CID 118033411
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467
1-[3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-yl]piperidine-4-carboxamide
CID 16832851

Frequently Asked Questions

What is the IUPAC name of 9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole?
The IUPAC name of 9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole (CID 145186154) is 9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole.
What is the SMILES notation for 9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole?
The canonical SMILES for 9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole is O=S(=O)(c1ccccc1)c1nc(-n2c3ccccc3c3ccccc32)c(S(=O)(=O)c2ccccc2)nc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole?
The InChIKey is CZCZFJCOPWGDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O4S2/c45-49(46,27-15-3-1-4-16-27)39-37(43-33-23-11-7-19-29(33)30-20-8-12-24-34(30)43)42-40(50(47,48)28-17-5-2-6-18-28)38(41-39)44-35-25-13-9-21-31(35)32-22-10-14-26-36(32)44/h1-26H.
What are the key properties of 9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole?
9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole has a molecular weight of 690.81 g/mol, XLogP of 8.34, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole is sourced from PubChem (CID 145186154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).