1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole

C30H26N2O4S2 — CID 134959494

IUPAC1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
SMILESCc1ccc(S(=O)(=O)n2c3ccccc3c3c2c2cc(C)cc(C)c2n3S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H26N2O4S2/c1-19-9-13-23(14-10-19)37(33,34)31-27-8-6-5-7-25(27)29-30(31)26-18-21(3)17-22(4)28(26)32(29)38(35,36)24-15-11-20(2)12-16-24/h5-18H,1-4H3
InChIKeyAPNODGLMJNTGFO-UHFFFAOYSA-N
MW542.68 g/mol
LogP6.46
Rot. Bonds4

About 1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole

1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole (PubChem CID 134959494) has the molecular formula C30H26N2O4S2 and a molecular weight of 542.68 g/mol. Its IUPAC name is 1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole.

Molecular Properties

Compound Name1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
PubChem CID134959494
Molecular FormulaC30H26N2O4S2
Molecular Weight542.68 g/mol
Exact Mass542.13
IUPAC Name1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
SMILESCc1ccc(S(=O)(=O)n2c3ccccc3c3c2c2cc(C)cc(C)c2n3S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C30H26N2O4S2/c1-19-9-13-23(14-10-19)37(33,34)31-27-8-6-5-7-25(27)29-30(31)26-18-21(3)17-22(4)28(26)32(29)38(35,36)24-15-11-20(2)12-16-24/h5-18H,1-4H3
InChIKeyAPNODGLMJNTGFO-UHFFFAOYSA-N
XLogP6.46
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.68
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole?
The IUPAC name of 1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole (CID 134959494) is 1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole.
What is the SMILES notation for 1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole?
The canonical SMILES for 1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole is Cc1ccc(S(=O)(=O)n2c3ccccc3c3c2c2cc(C)cc(C)c2n3S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole?
The InChIKey is APNODGLMJNTGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O4S2/c1-19-9-13-23(14-10-19)37(33,34)31-27-8-6-5-7-25(27)29-30(31)26-18-21(3)17-22(4)28(26)32(29)38(35,36)24-15-11-20(2)12-16-24/h5-18H,1-4H3.
What are the key properties of 1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole?
1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole has a molecular weight of 542.68 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole is sourced from PubChem (CID 134959494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).