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

C54H45N3 — CID 146384801

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

2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 146384801) has the molecular formula C54H45N3 and a molecular weight of 735.98 g/mol. Its IUPAC name is 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]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-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 146384801
• Molecular Formula: C54H45N3
• Molecular Weight: 735.98 g/mol
• Exact Mass: 735.36
• IUPAC Name: 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: C=Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6cccc(-c7cccc8ccccc78)c6)cc5)CCCCC4)cc3)n2)cc1/C=C\C
• InChI: InChI=1S/C54H45N3/c1-3-15-43-37-46(25-24-38(43)4-2)53-56-51(41-17-7-5-8-18-41)55-52(57-53)42-28-32-48(33-29-42)54(34-11-6-12-35-54)47-30-26-39(27-31-47)44-20-13-21-45(36-44)50-23-14-19-40-16-9-10-22-49(40)50/h3-5,7-10,13-33,36-37H,2,6,11-12,34-35H2,1H3/b15-3-
• InChIKey: NRZXEMFBZXORKV-CQPUUCJISA-N
• XLogP: 14.29
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.98
LogP ≤ 5	14.29
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-(3-naphthalen-1-ylphenyl)phenyl]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-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine (CID 146384801) is 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]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-(3-naphthalen-1-ylphenyl)phenyl]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-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine is C=Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6cccc(-c7cccc8ccccc78)c6)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-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is NRZXEMFBZXORKV-CQPUUCJISA-N. The full InChI is InChI=1S/C54H45N3/c1-3-15-43-37-46(25-24-38(43)4-2)53-56-51(41-17-7-5-8-18-41)55-52(57-53)42-28-32-48(33-29-42)54(34-11-6-12-35-54)47-30-26-39(27-31-47)44-20-13-21-45(36-44)50-23-14-19-40-16-9-10-22-49(40)50/h3-5,7-10,13-33,36-37H,2,6,11-12,34-35H2,1H3/b15-3-.

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

2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 735.98 g/mol, XLogP of 14.29, 9 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-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146384801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).