3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one

C30H26N2O2 — CID 70576549

IUPAC3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one
SMILESCCn1c2ccccc2c2cc(C3(c4ccc(N(C)C)cc4)OC(=O)c4ccccc43)ccc21
InChIInChI=1S/C30H26N2O2/c1-4-32-27-12-8-6-9-23(27)25-19-21(15-18-28(25)32)30(20-13-16-22(17-14-20)31(2)3)26-11-7-5-10-24(26)29(33)34-30/h5-19H,4H2,1-3H3
InChIKeyJRRUBESIQZTPRM-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.34
Rot. Bonds4

About 3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one

3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one (PubChem CID 70576549) has the molecular formula C30H26N2O2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one
PubChem CID70576549
Molecular FormulaC30H26N2O2
Molecular Weight446.55 g/mol
Exact Mass446.20
IUPAC Name3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one
SMILESCCn1c2ccccc2c2cc(C3(c4ccc(N(C)C)cc4)OC(=O)c4ccccc43)ccc21
InChIInChI=1S/C30H26N2O2/c1-4-32-27-12-8-6-9-23(27)25-19-21(15-18-28(25)32)30(20-13-16-22(17-14-20)31(2)3)26-11-7-5-10-24(26)29(33)34-30/h5-19H,4H2,1-3H3
InChIKeyJRRUBESIQZTPRM-UHFFFAOYSA-N
XLogP6.34
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(dimethylamino)phenyl]-3-(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one
CID 19073958
3-[1,2-bis(methylamino)indol-3-yl]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 21226359
3-(1-butyl-2-methylindol-3-yl)-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 58964023
6-amino-3,3-bis(9-ethylcarbazol-3-yl)-4,5-dimethyl-2-benzofuran-1-one
CID 70398993
5-amino-3,3-bis(9-ethylcarbazol-3-yl)-4,6-dimethyl-2-benzofuran-1-one
CID 67637419
3-[4-(dibutylamino)phenyl]-3-(1-ethyl-2-phenylindol-3-yl)-2-benzofuran-1-one
CID 139704931
3-[4-(diethylamino)phenyl]-3-[(E)-2-[4-(dimethylamino)phenyl]-2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-benzofuran-1-one
CID 70105710
benzylbenzene;3-[4-(dimethylamino)phenyl]-3-(2-methyl-1H-indol-3-yl)-2-benzofuran-1-one
CID 159967155
3,3-bis[4-(dibutylamino)phenyl]-2-benzofuran-1-one
CID 22292500
6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one
CID 20731315
bis(3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one);ethane
CID 158025143
5,6-dichloro-3,3-bis[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 20525380

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one (CID 70576549) is 3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one is CCn1c2ccccc2c2cc(C3(c4ccc(N(C)C)cc4)OC(=O)c4ccccc43)ccc21.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one?
The InChIKey is JRRUBESIQZTPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O2/c1-4-32-27-12-8-6-9-23(27)25-19-21(15-18-28(25)32)30(20-13-16-22(17-14-20)31(2)3)26-11-7-5-10-24(26)29(33)34-30/h5-19H,4H2,1-3H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one?
3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one has a molecular weight of 446.55 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-3-(9-ethylcarbazol-3-yl)-2-benzofuran-1-one is sourced from PubChem (CID 70576549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).