1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole]

C24H20N2O3 — CID 19084060

IUPAC1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(c2ccccc2)C12C=Cc1cc([N+](=O)[O-])ccc1O2
InChIInChI=1S/C24H20N2O3/c1-23(18-8-4-3-5-9-18)20-10-6-7-11-21(20)25(2)24(23)15-14-17-16-19(26(27)28)12-13-22(17)29-24/h3-16H,1-2H3
InChIKeyMFJCXZWXMMOIFX-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.15
Rot. Bonds2

About 1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole]

1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole] (PubChem CID 19084060) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole].

Molecular Properties

Compound Name1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole]
PubChem CID19084060
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole]
SMILESCN1c2ccccc2C(C)(c2ccccc2)C12C=Cc1cc([N+](=O)[O-])ccc1O2
InChIInChI=1S/C24H20N2O3/c1-23(18-8-4-3-5-9-18)20-10-6-7-11-21(20)25(2)24(23)15-14-17-16-19(26(27)28)12-13-22(17)29-24/h3-16H,1-2H3
InChIKeyMFJCXZWXMMOIFX-UHFFFAOYSA-N
XLogP5.15
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole]?
The IUPAC name of 1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole] (CID 19084060) is 1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole].
What is the SMILES notation for 1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole]?
The canonical SMILES for 1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole] is CN1c2ccccc2C(C)(c2ccccc2)C12C=Cc1cc([N+](=O)[O-])ccc1O2.
What is the InChIKey of 1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole]?
The InChIKey is MFJCXZWXMMOIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-23(18-8-4-3-5-9-18)20-10-6-7-11-21(20)25(2)24(23)15-14-17-16-19(26(27)28)12-13-22(17)29-24/h3-16H,1-2H3.
What are the key properties of 1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole]?
1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole] has a molecular weight of 384.44 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3'-dimethyl-6-nitro-3'-phenylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 19084060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).