5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one

C60H53N5O4 — CID 88804911

IUPAC5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one
SMILESCN(C)c1ccc(C2(c3c(-c4ccccc4)[nH]c4ccccc34)OC(=O)c3ccccc32)cc1.Cc1c(C2(c3c(C)n(C)c4ccccc34)OC(=O)c3ccc(N(C)C)cc32)c2ccccc2n1C
InChIInChI=1S/C30H29N3O2.C30H24N2O2/c1-18-27(22-11-7-9-13-25(22)32(18)5)30(28-19(2)33(6)26-14-10-8-12-23(26)28)24-17-20(31(3)4)15-16-21(24)29(34)35-30;1-32(2)22-18-16-21(17-19-22)30(25-14-8-6-12-23(25)29(33)34-30)27-24-13-7-9-15-26(24)31-28(27)20-10-4-3-5-11-20/h7-17H,1-6H3;3-19,31H,1-2H3
InChIKeySZQCJJGIMFENPE-UHFFFAOYSA-N
MW908.11 g/mol
LogP12.18
Rot. Bonds7

About 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one

5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one (PubChem CID 88804911) has the molecular formula C60H53N5O4 and a molecular weight of 908.11 g/mol. Its IUPAC name is 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one.

Molecular Properties

Compound Name5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one
PubChem CID88804911
Molecular FormulaC60H53N5O4
Molecular Weight908.11 g/mol
Exact Mass907.41
IUPAC Name5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one
SMILESCN(C)c1ccc(C2(c3c(-c4ccccc4)[nH]c4ccccc34)OC(=O)c3ccccc32)cc1.Cc1c(C2(c3c(C)n(C)c4ccccc34)OC(=O)c3ccc(N(C)C)cc32)c2ccccc2n1C
InChIInChI=1S/C30H29N3O2.C30H24N2O2/c1-18-27(22-11-7-9-13-25(22)32(18)5)30(28-19(2)33(6)26-14-10-8-12-23(26)28)24-17-20(31(3)4)15-16-21(24)29(34)35-30;1-32(2)22-18-16-21(17-19-22)30(25-14-8-6-12-23(25)29(33)34-30)27-24-13-7-9-15-26(24)31-28(27)20-10-4-3-5-11-20/h7-17H,1-6H3;3-19,31H,1-2H3
InChIKeySZQCJJGIMFENPE-UHFFFAOYSA-N
XLogP12.18
TPSA84.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.11
LogP ≤ 512.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one?
The IUPAC name of 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one (CID 88804911) is 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one.
What is the SMILES notation for 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one?
The canonical SMILES for 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one is CN(C)c1ccc(C2(c3c(-c4ccccc4)[nH]c4ccccc34)OC(=O)c3ccccc32)cc1.Cc1c(C2(c3c(C)n(C)c4ccccc34)OC(=O)c3ccc(N(C)C)cc32)c2ccccc2n1C.
What is the InChIKey of 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one?
The InChIKey is SZQCJJGIMFENPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2.C30H24N2O2/c1-18-27(22-11-7-9-13-25(22)32(18)5)30(28-19(2)33(6)26-14-10-8-12-23(26)28)24-17-20(31(3)4)15-16-21(24)29(34)35-30;1-32(2)22-18-16-21(17-19-22)30(25-14-8-6-12-23(25)29(33)34-30)27-24-13-7-9-15-26(24)31-28(27)20-10-4-3-5-11-20/h7-17H,1-6H3;3-19,31H,1-2H3.
What are the key properties of 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one?
5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one has a molecular weight of 908.11 g/mol, XLogP of 12.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;3-[4-(dimethylamino)phenyl]-3-(2-phenyl-1H-indol-3-yl)-2-benzofuran-1-one is sourced from PubChem (CID 88804911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).