10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione

C34H22N2O3 — CID 138968817

IUPAC10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione
SMILESCn1c2ccccc2c2c(-c3ccccc3)c3n(c(=O)c21)C1(CC(=O)c2ccccc2C1=O)c1ccccc1-3
InChIInChI=1S/C34H22N2O3/c1-35-26-18-10-8-16-24(26)29-28(20-11-3-2-4-12-20)30-23-15-7-9-17-25(23)34(36(30)33(39)31(29)35)19-27(37)21-13-5-6-14-22(21)32(34)38/h2-18H,19H2,1H3
InChIKeyAUDXRSWEKXLAHB-UHFFFAOYSA-N
MW506.56 g/mol
LogP6.35
Rot. Bonds1

About 10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione

10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione (PubChem CID 138968817) has the molecular formula C34H22N2O3 and a molecular weight of 506.56 g/mol. Its IUPAC name is 10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione.

Molecular Properties

Compound Name10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione
PubChem CID138968817
Molecular FormulaC34H22N2O3
Molecular Weight506.56 g/mol
Exact Mass506.16
IUPAC Name10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione
SMILESCn1c2ccccc2c2c(-c3ccccc3)c3n(c(=O)c21)C1(CC(=O)c2ccccc2C1=O)c1ccccc1-3
InChIInChI=1S/C34H22N2O3/c1-35-26-18-10-8-16-24(26)29-28(20-11-3-2-4-12-20)30-23-15-7-9-17-25(23)34(36(30)33(39)31(29)35)19-27(37)21-13-5-6-14-22(21)32(34)38/h2-18H,19H2,1H3
InChIKeyAUDXRSWEKXLAHB-UHFFFAOYSA-N
XLogP6.35
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.56
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}

Analyze 10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione 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

EG-018
CID 118796466
1-[(3-carbamimidoylphenyl)methyl]-4-methyl-N-(naphthalen-1-ylmethyl)indole-2-carboxamide
CID 9803617
(9-Ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 56651693
N-(1-adamantyl)-1-(5-oxopentyl)indole-2-carboxamide
CID 137635194
N-(1-adamantyl)-1-(5-fluoropentyl)indole-2-carboxamide
CID 137637866
N-(1-adamantyl)-1-(2-cyanoethyl)indole-2-carboxamide
CID 137652132
N-(1-adamantyl)-1-pentylindole-2-carboxamide
CID 137656152
5-Methylbenzo[b]carbazole-6,11-dione
CID 404904
[2-Methyl-1-[(1-methyl-2-pyrrolidinyl)methyl]-1H-indol-3-yl]-1-naphthalenylmethanone
CID 15015469
2-Cyclohexyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-9-methyl-1H,2H,9H-pyrido[3,4-B]indol-1-one
CID 15990487
2-amino-N-[4-(2-methyl-1-propylindole-3-carbonyl)naphthalen-2-yl]acetamide;hydrochloride
CID 49796909
N-benzyl-N-ethyl-2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide
CID 50994134

Frequently Asked Questions

What is the IUPAC name of 10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione?
The IUPAC name of 10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione (CID 138968817) is 10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione.
What is the SMILES notation for 10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione?
The canonical SMILES for 10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione is Cn1c2ccccc2c2c(-c3ccccc3)c3n(c(=O)c21)C1(CC(=O)c2ccccc2C1=O)c1ccccc1-3.
What is the InChIKey of 10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione?
The InChIKey is AUDXRSWEKXLAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2O3/c1-35-26-18-10-8-16-24(26)29-28(20-11-3-2-4-12-20)30-23-15-7-9-17-25(23)34(36(30)33(39)31(29)35)19-27(37)21-13-5-6-14-22(21)32(34)38/h2-18H,19H2,1H3.
What are the key properties of 10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione?
10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione has a molecular weight of 506.56 g/mol, XLogP of 6.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2-phenylspiro[10,13-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,15,17,19-octaene-14,3'-2H-naphthalene]-1',4',12-trione is sourced from PubChem (CID 138968817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).