3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine]

C25H20N2O — CID 15868760

IUPAC3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine]
SMILESCC1(C)c2ccccc2NC12C=Nc1c(c3ccccc3c3ccccc13)O2
InChIInChI=1S/C25H20N2O/c1-24(2)20-13-7-8-14-21(20)27-25(24)15-26-22-18-11-5-3-9-16(18)17-10-4-6-12-19(17)23(22)28-25/h3-15,27H,1-2H3
InChIKeyMVYCWPFVINBLJX-UHFFFAOYSA-N
MW364.45 g/mol
LogP6.19
Rot. Bonds

About 3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine]

3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine] (PubChem CID 15868760) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is 3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine].

Molecular Properties

Compound Name3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine]
PubChem CID15868760
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Name3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine]
SMILESCC1(C)c2ccccc2NC12C=Nc1c(c3ccccc3c3ccccc13)O2
InChIInChI=1S/C25H20N2O/c1-24(2)20-13-7-8-14-21(20)27-25(24)15-26-22-18-11-5-3-9-16(18)17-10-4-6-12-19(17)23(22)28-25/h3-15,27H,1-2H3
InChIKeyMVYCWPFVINBLJX-UHFFFAOYSA-N
XLogP6.19
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine]?
The IUPAC name of 3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine] (CID 15868760) is 3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine].
What is the SMILES notation for 3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine]?
The canonical SMILES for 3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine] is CC1(C)c2ccccc2NC12C=Nc1c(c3ccccc3c3ccccc13)O2.
What is the InChIKey of 3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine]?
The InChIKey is MVYCWPFVINBLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c1-24(2)20-13-7-8-14-21(20)27-25(24)15-26-22-18-11-5-3-9-16(18)17-10-4-6-12-19(17)23(22)28-25/h3-15,27H,1-2H3.
What are the key properties of 3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine]?
3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine] has a molecular weight of 364.45 g/mol, XLogP of 6.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylspiro[1H-indole-2,2'-phenanthro[9,10-b][1,4]oxazine] is sourced from PubChem (CID 15868760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).