2,3-diphenylpyrimido[1,6-a]indol-1-one

C23H16N2O — CID 162410236

IUPAC2,3-diphenylpyrimido[1,6-a]indol-1-one
SMILESO=c1n(-c2ccccc2)c(-c2ccccc2)cc2cc3ccccc3n12
InChIInChI=1S/C23H16N2O/c26-23-24(19-12-5-2-6-13-19)22(17-9-3-1-4-10-17)16-20-15-18-11-7-8-14-21(18)25(20)23/h1-16H
InChIKeyTXURLNBAUYLDTO-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.91
Rot. Bonds2

About 2,3-diphenylpyrimido[1,6-a]indol-1-one

2,3-diphenylpyrimido[1,6-a]indol-1-one (PubChem CID 162410236) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 2,3-diphenylpyrimido[1,6-a]indol-1-one.

Molecular Properties

Compound Name2,3-diphenylpyrimido[1,6-a]indol-1-one
PubChem CID162410236
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name2,3-diphenylpyrimido[1,6-a]indol-1-one
SMILESO=c1n(-c2ccccc2)c(-c2ccccc2)cc2cc3ccccc3n12
InChIInChI=1S/C23H16N2O/c26-23-24(19-12-5-2-6-13-19)22(17-9-3-1-4-10-17)16-20-15-18-11-7-8-14-21(18)25(20)23/h1-16H
InChIKeyTXURLNBAUYLDTO-UHFFFAOYSA-N
XLogP4.91
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,6-triphenylpyridin-4-one
CID 13088641
5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one
CID 164776263
1,4,6-triphenylpyridin-2-one
CID 629600
1,2-diphenyl-6-[2-phenyl-1-(4-phenylphenyl)indol-6-yl]indole
CID 71230374
N,N-diphenyl-4-(1-phenylindol-2-yl)aniline
CID 59993805
1-(3-methylphenyl)-2-phenylindole
CID 101372494
21,44-diphenyl-18,44-diazaundecacyclo[37.3.1.12,6.13,42.17,11.119,23.124,28.129,33.134,38.010,18.012,17]pentaconta-1(42),2,4,6(50),7(49),8,10,12,14,16,19(48),20,22,24,26,28(47),29,31,33(46),34(45),35,37,39(43),40-tetracosaene
CID 122581011
1,3-diphenylbenzimidazol-2-one
CID 22323486
2-phenyl-1-pyridin-3-ylindole
CID 59214542
N,N-dimethyl-4-(2-phenylindol-1-yl)cyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 143214514
N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
CID 144768904
1,2-bis(4-methylphenyl)indole
CID 151814608

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenylpyrimido[1,6-a]indol-1-one?
The IUPAC name of 2,3-diphenylpyrimido[1,6-a]indol-1-one (CID 162410236) is 2,3-diphenylpyrimido[1,6-a]indol-1-one.
What is the SMILES notation for 2,3-diphenylpyrimido[1,6-a]indol-1-one?
The canonical SMILES for 2,3-diphenylpyrimido[1,6-a]indol-1-one is O=c1n(-c2ccccc2)c(-c2ccccc2)cc2cc3ccccc3n12.
What is the InChIKey of 2,3-diphenylpyrimido[1,6-a]indol-1-one?
The InChIKey is TXURLNBAUYLDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c26-23-24(19-12-5-2-6-13-19)22(17-9-3-1-4-10-17)16-20-15-18-11-7-8-14-21(18)25(20)23/h1-16H.
What are the key properties of 2,3-diphenylpyrimido[1,6-a]indol-1-one?
2,3-diphenylpyrimido[1,6-a]indol-1-one has a molecular weight of 336.39 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenylpyrimido[1,6-a]indol-1-one is sourced from PubChem (CID 162410236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).