10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one

C43H25NO — CID 142451987

About 10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one

10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one (PubChem CID 142451987) has the molecular formula C43H25NO and a molecular weight of 571.68 g/mol. Its IUPAC name is 10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one.

Molecular Properties

• Compound Name: 10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one
• PubChem CID: 142451987
• Molecular Formula: C43H25NO
• Molecular Weight: 571.68 g/mol
• Exact Mass: 571.19
• IUPAC Name: 10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one
• SMILES: O=c1c2ccccc2c2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc3c4ccccc4n1c23
• InChI: InChI=1S/C43H25NO/c45-43-37-18-6-5-16-34(37)39-24-29(25-40-36-17-7-8-19-41(36)44(43)42(39)40)27-11-9-10-26(22-27)28-20-21-35-32-14-2-1-12-30(32)31-13-3-4-15-33(31)38(35)23-28/h1-25H
• InChIKey: XFBABYWRYSRHQI-UHFFFAOYSA-N
• XLogP: 10.99
• TPSA: 21.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.68
LogP ≤ 5	10.99
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-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one?

The IUPAC name of 10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one (CID 142451987) is 10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one.

What is the SMILES notation for 10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one?

The canonical SMILES for 10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one is O=c1c2ccccc2c2cc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc3c4ccccc4n1c23.

What is the InChIKey of 10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one?

The InChIKey is XFBABYWRYSRHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NO/c45-43-37-18-6-5-16-34(37)39-24-29(25-40-36-17-7-8-19-41(36)44(43)42(39)40)27-11-9-10-26(22-27)28-20-21-35-32-14-2-1-12-30(32)31-13-3-4-15-33(31)38(35)23-28/h1-25H.

What are the key properties of 10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one?

10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one has a molecular weight of 571.68 g/mol, XLogP of 10.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(3-triphenylen-2-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one is sourced from PubChem (CID 142451987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).