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

C52H33N — CID 121400683

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

14-naphthalen-2-yl-10-(4-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (PubChem CID 121400683) has the molecular formula C52H33N and a molecular weight of 671.84 g/mol. Its IUPAC name is 14-naphthalen-2-yl-10-(4-triphenylen-2-ylphenyl)-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-naphthalen-2-yl-10-(4-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
• PubChem CID: 121400683
• Molecular Formula: C52H33N
• Molecular Weight: 671.84 g/mol
• Exact Mass: 671.26
• IUPAC Name: 14-naphthalen-2-yl-10-(4-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
• SMILES: c1ccc2c(c1)-c1ccccc1N(c1ccc3ccccc3c1)c1ccc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc1-2
• InChI: InChI=1S/C52H33N/c1-2-12-37-31-40(28-25-34(37)11-1)53-51-20-10-9-19-48(51)44-16-6-8-18-46(44)50-33-39(27-30-52(50)53)36-23-21-35(22-24-36)38-26-29-47-43-15-4-3-13-41(43)42-14-5-7-17-45(42)49(47)32-38/h1-33H
• InChIKey: VJTKLKMUPQUZHE-UHFFFAOYSA-N
• XLogP: 14.75
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.84
LogP ≤ 5	14.75
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-naphthalen-2-yl-10-(4-triphenylen-2-ylphenyl)-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-naphthalen-2-yl-10-(4-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (CID 121400683) is 14-naphthalen-2-yl-10-(4-triphenylen-2-ylphenyl)-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-naphthalen-2-yl-10-(4-triphenylen-2-ylphenyl)-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-naphthalen-2-yl-10-(4-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is c1ccc2c(c1)-c1ccccc1N(c1ccc3ccccc3c1)c1ccc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)cc1-2.

What is the InChIKey of 14-naphthalen-2-yl-10-(4-triphenylen-2-ylphenyl)-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 VJTKLKMUPQUZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N/c1-2-12-37-31-40(28-25-34(37)11-1)53-51-20-10-9-19-48(51)44-16-6-8-18-46(44)50-33-39(27-30-52(50)53)36-23-21-35(22-24-36)38-26-29-47-43-15-4-3-13-41(43)42-14-5-7-17-45(42)49(47)32-38/h1-33H.

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

14-naphthalen-2-yl-10-(4-triphenylen-2-ylphenyl)-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 671.84 g/mol, XLogP of 14.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 14-naphthalen-2-yl-10-(4-triphenylen-2-ylphenyl)-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 121400683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).