10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one

C31H19NO — CID 146620445

About 10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one

10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one (PubChem CID 146620445) has the molecular formula C31H19NO and a molecular weight of 421.50 g/mol. Its IUPAC name is 10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one.

Molecular Properties

• Compound Name: 10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one
• PubChem CID: 146620445
• Molecular Formula: C31H19NO
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.15
• IUPAC Name: 10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one
• SMILES: O=c1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)cc3c4ccccc4n1c23
• InChI: InChI=1S/C31H19NO/c33-31-25-16-15-22(20-9-3-1-4-10-20)17-26(25)28-19-23(21-11-5-2-6-12-21)18-27-24-13-7-8-14-29(24)32(31)30(27)28/h1-19H
• InChIKey: CCMIDEYOVSGCDA-UHFFFAOYSA-N
• XLogP: 7.53
• TPSA: 21.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one?

The IUPAC name of 10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one (CID 146620445) is 10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one.

What is the SMILES notation for 10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one?

The canonical SMILES for 10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one is O=c1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)cc3c4ccccc4n1c23.

What is the InChIKey of 10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one?

The InChIKey is CCMIDEYOVSGCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19NO/c33-31-25-16-15-22(20-9-3-1-4-10-20)17-26(25)28-19-23(21-11-5-2-6-12-21)18-27-24-13-7-8-14-29(24)32(31)30(27)28/h1-19H.

What are the key properties of 10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one?

10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one has a molecular weight of 421.50 g/mol, XLogP of 7.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one is sourced from PubChem (CID 146620445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).