15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

C36H25N3 — CID 122492700

About 15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene

15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (PubChem CID 122492700) has the molecular formula C36H25N3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.

Molecular Properties

• Compound Name: 15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• PubChem CID: 122492700
• Molecular Formula: C36H25N3
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.20
• IUPAC Name: 15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
• SMILES: Cc1nc2cccc3c2n1-c1ccc(-c2ccc4cc(-c5ccccc5)ccc4c2)cc1N3c1ccccc1
• InChI: InChI=1S/C36H25N3/c1-24-37-32-13-8-14-34-36(32)38(24)33-20-19-30(23-35(33)39(34)31-11-6-3-7-12-31)29-18-17-27-21-26(15-16-28(27)22-29)25-9-4-2-5-10-25/h2-23H,1H3
• InChIKey: PAPHWTKASHCPIZ-UHFFFAOYSA-N
• XLogP: 9.60
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	9.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The IUPAC name of 15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene (CID 122492700) is 15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene.

What is the SMILES notation for 15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The canonical SMILES for 15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is Cc1nc2cccc3c2n1-c1ccc(-c2ccc4cc(-c5ccccc5)ccc4c2)cc1N3c1ccccc1.

What is the InChIKey of 15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

The InChIKey is PAPHWTKASHCPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3/c1-24-37-32-13-8-14-34-36(32)38(24)33-20-19-30(23-35(33)39(34)31-11-6-3-7-12-31)29-18-17-27-21-26(15-16-28(27)22-29)25-9-4-2-5-10-25/h2-23H,1H3.

What are the key properties of 15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene?

15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene has a molecular weight of 499.62 g/mol, XLogP of 9.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene is sourced from PubChem (CID 122492700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).