2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine

C45H39N3 — CID 171749065

About 2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine

2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 171749065) has the molecular formula C45H39N3 and a molecular weight of 621.83 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
• PubChem CID: 171749065
• Molecular Formula: C45H39N3
• Molecular Weight: 621.83 g/mol
• Exact Mass: 621.31
• IUPAC Name: 2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3cccc4c(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cccc34)ccc21
• InChI: InChI=1S/C45H39N3/c1-44(2)27-28-45(3,4)40-29-34(25-26-39(40)44)35-17-11-19-37-36(35)18-12-20-38(37)43-47-41(32-15-9-6-10-16-32)46-42(48-43)33-23-21-31(22-24-33)30-13-7-5-8-14-30/h5-26,29H,27-28H2,1-4H3
• InChIKey: FLJJUHZPJQIZMP-UHFFFAOYSA-N
• XLogP: 11.71
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.83
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine?

The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine (CID 171749065) is 2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine.

What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine?

The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine is CC1(C)CCC(C)(C)c2cc(-c3cccc4c(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cccc34)ccc21.

What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine?

The InChIKey is FLJJUHZPJQIZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39N3/c1-44(2)27-28-45(3,4)40-29-34(25-26-39(40)44)35-17-11-19-37-36(35)18-12-20-38(37)43-47-41(32-15-9-6-10-16-32)46-42(48-43)33-23-21-31(22-24-33)30-13-7-5-8-14-30/h5-26,29H,27-28H2,1-4H3.

What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine?

2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 621.83 g/mol, XLogP of 11.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-(4-phenylphenyl)-6-[5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 171749065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).