6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one

C68H62N6O4 — CID 19805302

IUPAC6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one
SMILESCCn1c2ccccc2c2cc(C3(c4ccc5c(c4)c4ccccc4n5CC)OC(=O)c4cc(N(C)C)ccc43)ccc21.Cc1c(C2(c3c(C)n(C)c4ccccc34)OC(=O)c3cc(N(C)C)ccc32)c2ccccc2n1C
InChIInChI=1S/C38H33N3O2.C30H29N3O2/c1-5-40-33-13-9-7-11-27(33)29-21-24(15-19-35(29)40)38(32-18-17-26(39(3)4)23-31(32)37(42)43-38)25-16-20-36-30(22-25)28-12-8-10-14-34(28)41(36)6-2;1-18-27(21-11-7-9-13-25(21)32(18)5)30(28-19(2)33(6)26-14-10-8-12-22(26)28)24-16-15-20(31(3)4)17-23(24)29(34)35-30/h7-23H,5-6H2,1-4H3;7-17H,1-6H3
InChIKeySZBIXTUWFZROHK-UHFFFAOYSA-N
MW1027.28 g/mol
LogP14.29
Rot. Bonds8

About 6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one

6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one (PubChem CID 19805302) has the molecular formula C68H62N6O4 and a molecular weight of 1027.28 g/mol. Its IUPAC name is 6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one
PubChem CID19805302
Molecular FormulaC68H62N6O4
Molecular Weight1027.28 g/mol
Exact Mass1026.48
IUPAC Name6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one
SMILESCCn1c2ccccc2c2cc(C3(c4ccc5c(c4)c4ccccc4n5CC)OC(=O)c4cc(N(C)C)ccc43)ccc21.Cc1c(C2(c3c(C)n(C)c4ccccc34)OC(=O)c3cc(N(C)C)ccc32)c2ccccc2n1C
InChIInChI=1S/C38H33N3O2.C30H29N3O2/c1-5-40-33-13-9-7-11-27(33)29-21-24(15-19-35(29)40)38(32-18-17-26(39(3)4)23-31(32)37(42)43-38)25-16-20-36-30(22-25)28-12-8-10-14-34(28)41(36)6-2;1-18-27(21-11-7-9-13-25(21)32(18)5)30(28-19(2)33(6)26-14-10-8-12-22(26)28)24-16-15-20(31(3)4)17-23(24)29(34)35-30/h7-23H,5-6H2,1-4H3;7-17H,1-6H3
InChIKeySZBIXTUWFZROHK-UHFFFAOYSA-N
XLogP14.29
TPSA78.80 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.28
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one?
The IUPAC name of 6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one (CID 19805302) is 6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one.
What is the SMILES notation for 6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one?
The canonical SMILES for 6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one is CCn1c2ccccc2c2cc(C3(c4ccc5c(c4)c4ccccc4n5CC)OC(=O)c4cc(N(C)C)ccc43)ccc21.Cc1c(C2(c3c(C)n(C)c4ccccc34)OC(=O)c3cc(N(C)C)ccc32)c2ccccc2n1C.
What is the InChIKey of 6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one?
The InChIKey is SZBIXTUWFZROHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33N3O2.C30H29N3O2/c1-5-40-33-13-9-7-11-27(33)29-21-24(15-19-35(29)40)38(32-18-17-26(39(3)4)23-31(32)37(42)43-38)25-16-20-36-30(22-25)28-12-8-10-14-34(28)41(36)6-2;1-18-27(21-11-7-9-13-25(21)32(18)5)30(28-19(2)33(6)26-14-10-8-12-22(26)28)24-16-15-20(31(3)4)17-23(24)29(34)35-30/h7-23H,5-6H2,1-4H3;7-17H,1-6H3.
What are the key properties of 6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one?
6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one has a molecular weight of 1027.28 g/mol, XLogP of 14.29, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3,3-bis(1,2-dimethylindol-3-yl)-2-benzofuran-1-one;6-(dimethylamino)-3,3-bis(9-ethylcarbazol-3-yl)-2-benzofuran-1-one is sourced from PubChem (CID 19805302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).