5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole

C32H24N2O4S2 — CID 67958663

IUPAC5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccccc3c3cc4c(cc32)c2ccccc2n4S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H24N2O4S2/c1-21-11-15-23(16-12-21)39(35,36)33-29-9-5-3-7-25(29)27-20-32-28(19-31(27)33)26-8-4-6-10-30(26)34(32)40(37,38)24-17-13-22(2)14-18-24/h3-20H,1-2H3
InChIKeyCWRLRXJNCYBCSL-UHFFFAOYSA-N
MW564.69 g/mol
LogP6.99
Rot. Bonds4

About 5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole

5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole (PubChem CID 67958663) has the molecular formula C32H24N2O4S2 and a molecular weight of 564.69 g/mol. Its IUPAC name is 5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole
PubChem CID67958663
Molecular FormulaC32H24N2O4S2
Molecular Weight564.69 g/mol
Exact Mass564.12
IUPAC Name5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole
SMILESCc1ccc(S(=O)(=O)n2c3ccccc3c3cc4c(cc32)c2ccccc2n4S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H24N2O4S2/c1-21-11-15-23(16-12-21)39(35,36)33-29-9-5-3-7-25(29)27-20-32-28(19-31(27)33)26-8-4-6-10-30(26)34(32)40(37,38)24-17-13-22(2)14-18-24/h3-20H,1-2H3
InChIKeyCWRLRXJNCYBCSL-UHFFFAOYSA-N
XLogP6.99
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole?
The IUPAC name of 5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole (CID 67958663) is 5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole.
What is the SMILES notation for 5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole?
The canonical SMILES for 5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole is Cc1ccc(S(=O)(=O)n2c3ccccc3c3cc4c(cc32)c2ccccc2n4S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole?
The InChIKey is CWRLRXJNCYBCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O4S2/c1-21-11-15-23(16-12-21)39(35,36)33-29-9-5-3-7-25(29)27-20-32-28(19-31(27)33)26-8-4-6-10-30(26)34(32)40(37,38)24-17-13-22(2)14-18-24/h3-20H,1-2H3.
What are the key properties of 5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole?
5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole has a molecular weight of 564.69 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis-(4-methylphenyl)sulfonylindolo[3,2-b]carbazole is sourced from PubChem (CID 67958663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).