4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one

C29H25NO4 — CID 144970429

IUPAC4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one
SMILESCNc1ccc2c(c1)OC(c1ccccc1)=CC21CC(C)(C)c2c(c3ccccc3oc2=O)O1
InChIInChI=1S/C29H25NO4/c1-28(2)17-29(34-26-20-11-7-8-12-22(20)33-27(31)25(26)28)16-24(18-9-5-4-6-10-18)32-23-15-19(30-3)13-14-21(23)29/h4-16,30H,17H2,1-3H3
InChIKeyVTWRDCSMGCYGDK-UHFFFAOYSA-N
MW451.52 g/mol
LogP6.22
Rot. Bonds2

About 4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one

4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one (PubChem CID 144970429) has the molecular formula C29H25NO4 and a molecular weight of 451.52 g/mol. Its IUPAC name is 4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one.

Molecular Properties

Compound Name4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one
PubChem CID144970429
Molecular FormulaC29H25NO4
Molecular Weight451.52 g/mol
Exact Mass451.18
IUPAC Name4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one
SMILESCNc1ccc2c(c1)OC(c1ccccc1)=CC21CC(C)(C)c2c(c3ccccc3oc2=O)O1
InChIInChI=1S/C29H25NO4/c1-28(2)17-29(34-26-20-11-7-8-12-22(20)33-27(31)25(26)28)16-24(18-9-5-4-6-10-18)32-23-15-19(30-3)13-14-21(23)29/h4-16,30H,17H2,1-3H3
InChIKeyVTWRDCSMGCYGDK-UHFFFAOYSA-N
XLogP6.22
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one 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

(11R,15R)-11,15-dimethyl-8,14,16-trioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6-tetraene-9,13-dione
CID 11022018
3-(methylamino)benzo[d][2]benzoxepine-5,7-dione
CID 141358200
2,2-diphenyl-3H-furo[3,2-c]chromen-4-one
CID 86000557
5-methylspiro[1H-indole-3,13'-2,10,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,17,19,21-octaene]-2,11',15'-trione
CID 122374997
1,1,4,4-tetramethyl-2,3-dihydronaphtho[2,1-b][1]benzofuran
CID 171579490
4,4-dimethyl-2-phenylbenzo[g]chromene
CID 101100623
2,2,4-trimethylpyrano[3,2-c]chromen-5-one
CID 13244741
N-(4-phenylphenyl)-N-(1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-5-yl)dibenzofuran-3-amine
CID 178036901
N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine
CID 168806172
2-hydroxy-4-(2-methoxyphenyl)-2-methyl-3,4-dihydropyrano[3,2-c]chromen-5-one
CID 71498651
8-dibenzofuran-2-yl-3-(3,5-diphenylphenyl)benzo[c]chromen-6-one
CID 121242345
N-[4-[4-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-3-yl)phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169029851

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one?
The IUPAC name of 4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one (CID 144970429) is 4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one.
What is the SMILES notation for 4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one?
The canonical SMILES for 4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one is CNc1ccc2c(c1)OC(c1ccccc1)=CC21CC(C)(C)c2c(c3ccccc3oc2=O)O1.
What is the InChIKey of 4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one?
The InChIKey is VTWRDCSMGCYGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO4/c1-28(2)17-29(34-26-20-11-7-8-12-22(20)33-27(31)25(26)28)16-24(18-9-5-4-6-10-18)32-23-15-19(30-3)13-14-21(23)29/h4-16,30H,17H2,1-3H3.
What are the key properties of 4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one?
4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one has a molecular weight of 451.52 g/mol, XLogP of 6.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-7'-(methylamino)-2'-phenylspiro[3H-pyrano[3,2-c]chromene-2,4'-chromene]-5-one is sourced from PubChem (CID 144970429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).