1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one

C30H23N3O — CID 171476532

IUPAC1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
SMILESCN1C(=O)C2(N=C(c3ccc(-c4ccccc4)cc3)N3CCc4cccc2c43)c2ccccc21
InChIInChI=1S/C30H23N3O/c1-32-26-13-6-5-11-24(26)30(29(32)34)25-12-7-10-22-18-19-33(27(22)25)28(31-30)23-16-14-21(15-17-23)20-8-3-2-4-9-20/h2-17H,18-19H2,1H3
InChIKeyNBVONFLOQAWHBG-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.40
Rot. Bonds2

About 1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one

1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one (PubChem CID 171476532) has the molecular formula C30H23N3O and a molecular weight of 441.53 g/mol. Its IUPAC name is 1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
PubChem CID171476532
Molecular FormulaC30H23N3O
Molecular Weight441.53 g/mol
Exact Mass441.18
IUPAC Name1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
SMILESCN1C(=O)C2(N=C(c3ccc(-c4ccccc4)cc3)N3CCc4cccc2c43)c2ccccc21
InChIInChI=1S/C30H23N3O/c1-32-26-13-6-5-11-24(26)30(29(32)34)25-12-7-10-22-18-19-33(27(22)25)28(31-30)23-16-14-21(15-17-23)20-8-3-2-4-9-20/h2-17H,18-19H2,1H3
InChIKeyNBVONFLOQAWHBG-UHFFFAOYSA-N
XLogP5.40
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one with MolForge

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Related Compounds

5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
CID 171476553
7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
CID 171476521
5-methoxy-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-9,3'-indole]-2'-one
CID 171476525
1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one
CID 132527977
2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline
CID 134822461
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1'-methylspiro[benzimidazole-2,3'-indole]-2'-one
CID 659228
(2S)-1'-methyl-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
CID 823854
1',4'-dimethylspiro[1,2-dihydroindene-3,3'-indole]-2'-one
CID 102369514
1,3,3-trimethyl-4H-quinolin-2-one
CID 15056385
2-amino-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84719129
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073

Frequently Asked Questions

What is the IUPAC name of 1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one?
The IUPAC name of 1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one (CID 171476532) is 1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one.
What is the SMILES notation for 1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one?
The canonical SMILES for 1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one is CN1C(=O)C2(N=C(c3ccc(-c4ccccc4)cc3)N3CCc4cccc2c43)c2ccccc21.
What is the InChIKey of 1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one?
The InChIKey is NBVONFLOQAWHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O/c1-32-26-13-6-5-11-24(26)30(29(32)34)25-12-7-10-22-18-19-33(27(22)25)28(31-30)23-16-14-21(15-17-23)20-8-3-2-4-9-20/h2-17H,18-19H2,1H3.
What are the key properties of 1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one?
1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one has a molecular weight of 441.53 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one is sourced from PubChem (CID 171476532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).