phenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone

C26H23NO2 — CID 165164710

IUPACphenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone
SMILESCN1c2ccc(C(=O)c3ccccc3)cc2C(C)(C)C12C=Cc1ccccc1O2
InChIInChI=1S/C26H23NO2/c1-25(2)21-17-20(24(28)19-10-5-4-6-11-19)13-14-22(21)27(3)26(25)16-15-18-9-7-8-12-23(18)29-26/h4-17H,1-3H3
InChIKeyLXQMOUXISDJBQW-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.45
Rot. Bonds2

About phenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone

phenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone (PubChem CID 165164710) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is phenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone.

Molecular Properties

Compound Namephenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone
PubChem CID165164710
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Namephenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone
SMILESCN1c2ccc(C(=O)c3ccccc3)cc2C(C)(C)C12C=Cc1ccccc1O2
InChIInChI=1S/C26H23NO2/c1-25(2)21-17-20(24(28)19-10-5-4-6-11-19)13-14-22(21)27(3)26(25)16-15-18-9-7-8-12-23(18)29-26/h4-17H,1-3H3
InChIKeyLXQMOUXISDJBQW-UHFFFAOYSA-N
XLogP5.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze phenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(2,4-dimethoxybenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl]-phenylmethanone
CID 165164664
1',3',3'-trimethyl-5'-nitrospiro[chromene-2,2'-indole]
CID 3007719
(4-fluorophenyl)-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone
CID 167695967
6-(4-fluorobenzoyl)-1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-sulfonamide
CID 165164659
diphenylphosphoryl-(1',3',3',5'-tetramethylspiro[chromene-2,2'-indole]-6-yl)methanone
CID 167651859
2-phenyl-1-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)ethanone
CID 170091928
(1'-benzyl-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl)-phenylmethanone
CID 165164633
3-sulfanylpropyl 1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-carboxylate
CID 172523638
2,2-dichloro-1-[1',3',3'-trimethyl-5'-(trifluoromethyl)spiro[chromene-2,2'-indole]-6-yl]propan-1-one
CID 170384952
2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol
CID 167694327
(Z)-4-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-6-yl)but-3-en-2-one
CID 177475501
(2S)-1',3',3'-trimethyl-7-nitrospiro[chromene-2,2'-indole]
CID 40636806

Frequently Asked Questions

What is the IUPAC name of phenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone?
The IUPAC name of phenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone (CID 165164710) is phenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone.
What is the SMILES notation for phenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone?
The canonical SMILES for phenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone is CN1c2ccc(C(=O)c3ccccc3)cc2C(C)(C)C12C=Cc1ccccc1O2.
What is the InChIKey of phenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone?
The InChIKey is LXQMOUXISDJBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2/c1-25(2)21-17-20(24(28)19-10-5-4-6-11-19)13-14-22(21)27(3)26(25)16-15-18-9-7-8-12-23(18)29-26/h4-17H,1-3H3.
What are the key properties of phenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone?
phenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone has a molecular weight of 381.48 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1',3',3'-trimethylspiro[chromene-2,2'-indole]-5'-yl)methanone is sourced from PubChem (CID 165164710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).