(3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone

C₃₁H₂₃NO₂ — CID 156788671

About (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone

(3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone (PubChem CID 156788671) has the molecular formula C₃₁H₂₃NO₂ and a molecular weight of 441.53 g/mol. Its IUPAC name is (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone.

Molecular Properties

• Compound Name: (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone
• PubChem CID: 156788671
• Molecular Formula: C₃₁H₂₃NO₂
• Molecular Weight: 441.53 g/mol
• Exact Mass: 441.17
• IUPAC Name: (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone
• SMILES: O=C(c1ccccc1)n1c2c(c3ccccc31)OCC(=C(c1ccccc1)c1ccccc1)C2
• InChI: InChI=1S/C31H23NO2/c33-31(24-16-8-3-9-17-24)32-27-19-11-10-18-26(27)30-28(32)20-25(21-34-30)29(22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-19H,20-21H2
• InChIKey: CNZNKXZOLSWUPS-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 31.23 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.53
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone?

The IUPAC name of (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone (CID 156788671) is (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone.

What is the SMILES notation for (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone?

The canonical SMILES for (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone is O=C(c1ccccc1)n1c2c(c3ccccc31)OCC(=C(c1ccccc1)c1ccccc1)C2.

What is the InChIKey of (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone?

The InChIKey is CNZNKXZOLSWUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO2/c33-31(24-16-8-3-9-17-24)32-27-19-11-10-18-26(27)30-28(32)20-25(21-34-30)29(22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-19H,20-21H2.

What are the key properties of (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone?

(3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone has a molecular weight of 441.53 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3-benzhydrylidene-4H-pyrano[3,2-b]indol-5-yl)-phenylmethanone is sourced from PubChem (CID 156788671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156788671 — identifiers, structure, computed properties (public domain)

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