(4Z)-3-hydroxy-2-spiro[1,3-dihydroperimidine-2,5'-indeno[1,2-b]pyridine]-4-yl-4-spiro[1H-perimidine-2,5'-indeno[1,2-b]pyridine]-4-ylidenecyclobut-2-en-1-one

C48H28N6O2 — CID 155639652

About (4Z)-3-hydroxy-2-spiro[1,3-dihydroperimidine-2,5'-indeno[1,2-b]pyridine]-4-yl-4-spiro[1H-perimidine-2,5'-indeno[1,2-b]pyridine]-4-ylidenecyclobut-2-en-1-one

(4Z)-3-hydroxy-2-spiro[1,3-dihydroperimidine-2,5'-indeno[1,2-b]pyridine]-4-yl-4-spiro[1H-perimidine-2,5'-indeno[1,2-b]pyridine]-4-ylidenecyclobut-2-en-1-one (PubChem CID 155639652) has the molecular formula C48H28N6O2 and a molecular weight of 720.79 g/mol. Its IUPAC name is (4Z)-3-hydroxy-2-spiro[1,3-dihydroperimidine-2,5'-indeno[1,2-b]pyridine]-4-yl-4-spiro[1H-perimidine-2,5'-indeno[1,2-b]pyridine]-4-ylidenecyclobut-2-en-1-one.

Molecular Properties

• Compound Name: (4Z)-3-hydroxy-2-spiro[1,3-dihydroperimidine-2,5'-indeno[1,2-b]pyridine]-4-yl-4-spiro[1H-perimidine-2,5'-indeno[1,2-b]pyridine]-4-ylidenecyclobut-2-en-1-one
• PubChem CID: 155639652
• Molecular Formula: C48H28N6O2
• Molecular Weight: 720.79 g/mol
• Exact Mass: 720.23
• IUPAC Name: (4Z)-3-hydroxy-2-spiro[1,3-dihydroperimidine-2,5'-indeno[1,2-b]pyridine]-4-yl-4-spiro[1H-perimidine-2,5'-indeno[1,2-b]pyridine]-4-ylidenecyclobut-2-en-1-one
• SMILES: O=C1C(c2ccc3cccc4c3c2NC2(N4)c3ccccc3-c3ncccc32)=C(O)/C1=c1\ccc2cccc3c2c1=NC1(N3)c2ccccc2-c2ncccc21
• InChI: InChI=1S/C48H28N6O2/c55-45-39(29-21-19-25-9-5-17-35-37(25)43(29)53-47(51-35)31-13-3-1-11-27(31)41-33(47)15-7-23-49-41)46(56)40(45)30-22-20-26-10-6-18-36-38(26)44(30)54-48(52-36)32-14-4-2-12-28(32)42-34(48)16-8-24-50-42/h1-24,51-53,55H/b40-30-
• InChIKey: RWLBSZHICYRLIP-DFGGBBJBSA-N
• XLogP: 8.13
• TPSA: 111.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 1
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.79
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-hydroxy-2-spiro[1,3-dihydroperimidine-2,5'-indeno[1,2-b]pyridine]-4-yl-4-spiro[1H-perimidine-2,5'-indeno[1,2-b]pyridine]-4-ylidenecyclobut-2-en-1-one?

The IUPAC name of (4Z)-3-hydroxy-2-spiro[1,3-dihydroperimidine-2,5'-indeno[1,2-b]pyridine]-4-yl-4-spiro[1H-perimidine-2,5'-indeno[1,2-b]pyridine]-4-ylidenecyclobut-2-en-1-one (CID 155639652) is (4Z)-3-hydroxy-2-spiro[1,3-dihydroperimidine-2,5'-indeno[1,2-b]pyridine]-4-yl-4-spiro[1H-perimidine-2,5'-indeno[1,2-b]pyridine]-4-ylidenecyclobut-2-en-1-one.

What is the SMILES notation for (4Z)-3-hydroxy-2-spiro[1,3-dihydroperimidine-2,5'-indeno[1,2-b]pyridine]-4-yl-4-spiro[1H-perimidine-2,5'-indeno[1,2-b]pyridine]-4-ylidenecyclobut-2-en-1-one?

The canonical SMILES for (4Z)-3-hydroxy-2-spiro[1,3-dihydroperimidine-2,5'-indeno[1,2-b]pyridine]-4-yl-4-spiro[1H-perimidine-2,5'-indeno[1,2-b]pyridine]-4-ylidenecyclobut-2-en-1-one is O=C1C(c2ccc3cccc4c3c2NC2(N4)c3ccccc3-c3ncccc32)=C(O)/C1=c1\ccc2cccc3c2c1=NC1(N3)c2ccccc2-c2ncccc21.

What is the InChIKey of (4Z)-3-hydroxy-2-spiro[1,3-dihydroperimidine-2,5'-indeno[1,2-b]pyridine]-4-yl-4-spiro[1H-perimidine-2,5'-indeno[1,2-b]pyridine]-4-ylidenecyclobut-2-en-1-one?

The InChIKey is RWLBSZHICYRLIP-DFGGBBJBSA-N. The full InChI is InChI=1S/C48H28N6O2/c55-45-39(29-21-19-25-9-5-17-35-37(25)43(29)53-47(51-35)31-13-3-1-11-27(31)41-33(47)15-7-23-49-41)46(56)40(45)30-22-20-26-10-6-18-36-38(26)44(30)54-48(52-36)32-14-4-2-12-28(32)42-34(48)16-8-24-50-42/h1-24,51-53,55H/b40-30-.

What are the key properties of (4Z)-3-hydroxy-2-spiro[1,3-dihydroperimidine-2,5'-indeno[1,2-b]pyridine]-4-yl-4-spiro[1H-perimidine-2,5'-indeno[1,2-b]pyridine]-4-ylidenecyclobut-2-en-1-one?

(4Z)-3-hydroxy-2-spiro[1,3-dihydroperimidine-2,5'-indeno[1,2-b]pyridine]-4-yl-4-spiro[1H-perimidine-2,5'-indeno[1,2-b]pyridine]-4-ylidenecyclobut-2-en-1-one has a molecular weight of 720.79 g/mol, XLogP of 8.13, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-3-hydroxy-2-spiro[1,3-dihydroperimidine-2,5'-indeno[1,2-b]pyridine]-4-yl-4-spiro[1H-perimidine-2,5'-indeno[1,2-b]pyridine]-4-ylidenecyclobut-2-en-1-one is sourced from PubChem (CID 155639652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).