2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine

C48H41N3 — CID 146384808

About 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine

2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 146384808) has the molecular formula C48H41N3 and a molecular weight of 659.88 g/mol. Its IUPAC name is 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 146384808
• Molecular Formula: C48H41N3
• Molecular Weight: 659.88 g/mol
• Exact Mass: 659.33
• IUPAC Name: 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: C=Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6ccc7ccccc7c6)cc5)CCCCC4)cc3)n2)cc1/C=C\C
• InChI: InChI=1S/C48H41N3/c1-3-13-39-33-42(21-18-34(39)4-2)47-50-45(37-15-7-5-8-16-37)49-46(51-47)38-24-28-44(29-25-38)48(30-11-6-12-31-48)43-26-22-36(23-27-43)41-20-19-35-14-9-10-17-40(35)32-41/h3-5,7-10,13-29,32-33H,2,6,11-12,30-31H2,1H3/b13-3-
• InChIKey: AMTCCXRPISSFMP-DXNYSGJVSA-N
• XLogP: 12.62
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.88
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine (CID 146384808) is 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine is C=Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6ccc7ccccc7c6)cc5)CCCCC4)cc3)n2)cc1/C=C\C.

What is the InChIKey of 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is AMTCCXRPISSFMP-DXNYSGJVSA-N. The full InChI is InChI=1S/C48H41N3/c1-3-13-39-33-42(21-18-34(39)4-2)47-50-45(37-15-7-5-8-16-37)49-46(51-47)38-24-28-44(29-25-38)48(30-11-6-12-31-48)43-26-22-36(23-27-43)41-20-19-35-14-9-10-17-40(35)32-41/h3-5,7-10,13-29,32-33H,2,6,11-12,30-31H2,1H3/b13-3-.

What are the key properties of 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine?

2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 659.88 g/mol, XLogP of 12.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146384808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).