14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

C42H27N — CID 121400635

About 14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (PubChem CID 121400635) has the molecular formula C42H27N and a molecular weight of 545.69 g/mol. Its IUPAC name is 14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

Molecular Properties

• Compound Name: 14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
• PubChem CID: 121400635
• Molecular Formula: C42H27N
• Molecular Weight: 545.69 g/mol
• Exact Mass: 545.21
• IUPAC Name: 14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
• SMILES: c1ccc(N2c3ccccc3-c3ccccc3-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc32)cc1
• InChI: InChI=1S/C42H27N/c1-2-12-30(13-3-1)43-41-21-11-10-20-38(41)34-17-7-9-19-36(34)40-27-29(23-25-42(40)43)28-22-24-37-33-16-5-4-14-31(33)32-15-6-8-18-35(32)39(37)26-28/h1-27H
• InChIKey: MERAUUPDCSYZAS-UHFFFAOYSA-N
• XLogP: 11.93
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.69
LogP ≤ 5	11.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

The IUPAC name of 14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (CID 121400635) is 14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

What is the SMILES notation for 14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

The canonical SMILES for 14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is c1ccc(N2c3ccccc3-c3ccccc3-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)ccc32)cc1.

What is the InChIKey of 14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

The InChIKey is MERAUUPDCSYZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N/c1-2-12-30(13-3-1)43-41-21-11-10-20-38(41)34-17-7-9-19-36(34)40-27-29(23-25-42(40)43)28-22-24-37-33-16-5-4-14-31(33)32-15-6-8-18-35(32)39(37)26-28/h1-27H.

What are the key properties of 14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene has a molecular weight of 545.69 g/mol, XLogP of 11.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is sourced from PubChem (CID 121400635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).