8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole]

C31H26N2O4 — CID 19084114

IUPAC8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole]
SMILESCOc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(C)c2c(-c3ccccc3)cccc2C1(C)c1ccccc1
InChIInChI=1S/C31H26N2O4/c1-30(23-13-8-5-9-14-23)26-16-10-15-25(21-11-6-4-7-12-21)28(26)32(2)31(30)18-17-22-19-24(33(34)35)20-27(36-3)29(22)37-31/h4-20H,1-3H3
InChIKeyFEPRXQHZDDQVON-UHFFFAOYSA-N
MW490.56 g/mol
LogP6.83
Rot. Bonds4

About 8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole]

8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole] (PubChem CID 19084114) has the molecular formula C31H26N2O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole]
PubChem CID19084114
Molecular FormulaC31H26N2O4
Molecular Weight490.56 g/mol
Exact Mass490.19
IUPAC Name8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole]
SMILESCOc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(C)c2c(-c3ccccc3)cccc2C1(C)c1ccccc1
InChIInChI=1S/C31H26N2O4/c1-30(23-13-8-5-9-14-23)26-16-10-15-25(21-11-6-4-7-12-21)28(26)32(2)31(30)18-17-22-19-24(33(34)35)20-27(36-3)29(22)37-31/h4-20H,1-3H3
InChIKeyFEPRXQHZDDQVON-UHFFFAOYSA-N
XLogP6.83
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole]?
The IUPAC name of 8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole] (CID 19084114) is 8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole].
What is the SMILES notation for 8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole]?
The canonical SMILES for 8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole] is COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(C)c2c(-c3ccccc3)cccc2C1(C)c1ccccc1.
What is the InChIKey of 8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole]?
The InChIKey is FEPRXQHZDDQVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O4/c1-30(23-13-8-5-9-14-23)26-16-10-15-25(21-11-6-4-7-12-21)28(26)32(2)31(30)18-17-22-19-24(33(34)35)20-27(36-3)29(22)37-31/h4-20H,1-3H3.
What are the key properties of 8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole]?
8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole] has a molecular weight of 490.56 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1',3'-dimethyl-6-nitro-3',7'-diphenylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 19084114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).