1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole]

C29H24N4O3 — CID 168865436

About 1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole]

1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole] (PubChem CID 168865436) has the molecular formula C29H24N4O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is 1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole].

Molecular Properties

• Compound Name: 1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole]
• PubChem CID: 168865436
• Molecular Formula: C29H24N4O3
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.18
• IUPAC Name: 1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole]
• SMILES: CN1c2c(-c3ccncc3)ccc(-c3ccncc3)c2C(C)(C)C12C=Cc1cc([N+](=O)[O-])ccc1O2
• InChI: InChI=1S/C29H24N4O3/c1-28(2)26-23(19-9-14-30-15-10-19)5-6-24(20-11-16-31-17-12-20)27(26)32(3)29(28)13-8-21-18-22(33(34)35)4-7-25(21)36-29/h4-18H,1-3H3
• InChIKey: MWUCWCBPLHPGIM-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 81.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole]?

The IUPAC name of 1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole] (CID 168865436) is 1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole].

What is the SMILES notation for 1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole]?

The canonical SMILES for 1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole] is CN1c2c(-c3ccncc3)ccc(-c3ccncc3)c2C(C)(C)C12C=Cc1cc([N+](=O)[O-])ccc1O2.

What is the InChIKey of 1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole]?

The InChIKey is MWUCWCBPLHPGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3/c1-28(2)26-23(19-9-14-30-15-10-19)5-6-24(20-11-16-31-17-12-20)27(26)32(3)29(28)13-8-21-18-22(33(34)35)4-7-25(21)36-29/h4-18H,1-3H3.

What are the key properties of 1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole]?

1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole] has a molecular weight of 476.54 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1',3',3'-trimethyl-6-nitro-4',7'-dipyridin-4-ylspiro[chromene-2,2'-indole] is sourced from PubChem (CID 168865436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).