(6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone

C28H21NO — CID 5305001

IUPAC(6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone
SMILESCc1cn2c(C(=O)c3ccccc3)c(-c3ccccc3)cc2cc1-c1ccccc1
InChIInChI=1S/C28H21NO/c1-20-19-29-24(17-25(20)21-11-5-2-6-12-21)18-26(22-13-7-3-8-14-22)27(29)28(30)23-15-9-4-10-16-23/h2-19H,1H3
InChIKeyJVTOUKZCAWVXCX-UHFFFAOYSA-N
MW387.48 g/mol
LogP6.81
Rot. Bonds4

About (6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone

(6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone (PubChem CID 5305001) has the molecular formula C28H21NO and a molecular weight of 387.48 g/mol. Its IUPAC name is (6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone
PubChem CID5305001
Molecular FormulaC28H21NO
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC Name(6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone
SMILESCc1cn2c(C(=O)c3ccccc3)c(-c3ccccc3)cc2cc1-c1ccccc1
InChIInChI=1S/C28H21NO/c1-20-19-29-24(17-25(20)21-11-5-2-6-12-21)18-26(22-13-7-3-8-14-22)27(29)28(30)23-15-9-4-10-16-23/h2-19H,1H3
InChIKeyJVTOUKZCAWVXCX-UHFFFAOYSA-N
XLogP6.81
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;3-benzoyl-2-phenylindolizine-6-carboxylate;hydrate
CID 44655568
sodium 3-benzoyl-2-(4-methoxyphenyl)indolizine-7-carboxylate
CID 23670330
[2-methyl-6-(4-methylphenyl)-4-phenylphenyl]-phenylmethanone
CID 2825389
phenyl-(2,4,6-triphenylphenyl)methanone
CID 3631606
(2-phenylindolizin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 2359773
[2-(4-chlorophenyl)indolizin-3-yl]-(3-methoxyphenyl)methanone
CID 4067347
(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone
CID 13495520
3-[4-[3-(dibutylamino)propoxy]benzoyl]-2-phenylindolizine-7-carboxylic acid
CID 19754424
[4-[3-(dibutylamino)propoxy]phenyl]-(2-phenylindolizin-3-yl)methanone
CID 12844816
[3-(4-chlorophenyl)-1-methylpyrrol-2-yl]-phenylmethanone
CID 19021727
(2-bromo-1-methyl-4-phenylpyrrol-3-yl)-phenylmethanone
CID 10688487
(2-methylsulfanyl-1,4-diphenylpyrrol-3-yl)-phenylmethanone
CID 102140254

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone?
The IUPAC name of (6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone (CID 5305001) is (6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone.
What is the SMILES notation for (6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone?
The canonical SMILES for (6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone is Cc1cn2c(C(=O)c3ccccc3)c(-c3ccccc3)cc2cc1-c1ccccc1.
What is the InChIKey of (6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone?
The InChIKey is JVTOUKZCAWVXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO/c1-20-19-29-24(17-25(20)21-11-5-2-6-12-21)18-26(22-13-7-3-8-14-22)27(29)28(30)23-15-9-4-10-16-23/h2-19H,1H3.
What are the key properties of (6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone?
(6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone has a molecular weight of 387.48 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,7-diphenylindolizin-3-yl)-phenylmethanone is sourced from PubChem (CID 5305001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).