(1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide

C30H25NO6S — CID 161079184

IUPAC(1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide
SMILESCOc1cc(-c2cccc(C(=O)c3cc4ccccc4n3-c3ccccc3)c2)cc(OC)c1OC.O=S=O
InChIInChI=1S/C30H25NO4.O2S/c1-33-27-18-23(19-28(34-2)30(27)35-3)20-11-9-12-22(16-20)29(32)26-17-21-10-7-8-15-25(21)31(26)24-13-5-4-6-14-24;1-3-2/h4-19H,1-3H3;
InChIKeyUFRKBKCABNNLIJ-UHFFFAOYSA-N
MW527.60 g/mol
LogP5.88
Rot. Bonds7

About (1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide

(1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide (PubChem CID 161079184) has the molecular formula C30H25NO6S and a molecular weight of 527.60 g/mol. Its IUPAC name is (1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide.

Molecular Properties

Compound Name(1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide
PubChem CID161079184
Molecular FormulaC30H25NO6S
Molecular Weight527.60 g/mol
Exact Mass527.14
IUPAC Name(1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide
SMILESCOc1cc(-c2cccc(C(=O)c3cc4ccccc4n3-c3ccccc3)c2)cc(OC)c1OC.O=S=O
InChIInChI=1S/C30H25NO4.O2S/c1-33-27-18-23(19-28(34-2)30(27)35-3)20-11-9-12-22(16-20)29(32)26-17-21-10-7-8-15-25(21)31(26)24-13-5-4-6-14-24;1-3-2/h4-19H,1-3H3;
InChIKeyUFRKBKCABNNLIJ-UHFFFAOYSA-N
XLogP5.88
TPSA83.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.60
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11462658
methyl 4-methoxy-1-phenylindole-2-carboxylate
CID 10493073
1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone
CID 138857566
2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one
CID 102338690
2-[3-(3,4,5-trimethoxyphenyl)phenyl]isoindole-1,3-dione
CID 168517559
4-phenyl-1,2-bis(3,4,5-trimethoxybenzoyl)-1,2,4-triazolidine-3,5-dione
CID 19775219
3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one
CID 11703021
(3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 154713295
[1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 56646601
[3-(3,5-dimethoxy-4-methylphenyl)phenyl]-(4-hydroxy-3,5-dimethoxyphenyl)methanone
CID 165402891
2-chloro-1-(5,6-dimethoxy-1-phenylindol-2-yl)ethanone
CID 138857576

Frequently Asked Questions

What is the IUPAC name of (1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide?
The IUPAC name of (1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide (CID 161079184) is (1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide.
What is the SMILES notation for (1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide?
The canonical SMILES for (1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide is COc1cc(-c2cccc(C(=O)c3cc4ccccc4n3-c3ccccc3)c2)cc(OC)c1OC.O=S=O.
What is the InChIKey of (1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide?
The InChIKey is UFRKBKCABNNLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO4.O2S/c1-33-27-18-23(19-28(34-2)30(27)35-3)20-11-9-12-22(16-20)29(32)26-17-21-10-7-8-15-25(21)31(26)24-13-5-4-6-14-24;1-3-2/h4-19H,1-3H3;.
What are the key properties of (1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide?
(1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide has a molecular weight of 527.60 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylindol-2-yl)-[3-(3,4,5-trimethoxyphenyl)phenyl]methanone;sulfur dioxide is sourced from PubChem (CID 161079184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).