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

C57H46N6 — CID 146384829

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

2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 146384829) has the molecular formula C57H46N6 and a molecular weight of 815.04 g/mol. Its IUPAC name is 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)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-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 146384829
• Molecular Formula: C57H46N6
• Molecular Weight: 815.04 g/mol
• Exact Mass: 814.38
• IUPAC Name: 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine
• SMILES: C=Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8ccccc8c7)n6)cc5)CCCCC4)cc3)n2)cc1/C=C\C
• InChI: InChI=1S/C57H46N6/c1-3-16-45-37-47(25-23-39(45)4-2)55-60-51(41-18-8-5-9-19-41)58-53(62-55)43-27-31-49(32-28-43)57(35-14-7-15-36-57)50-33-29-44(30-34-50)54-59-52(42-20-10-6-11-21-42)61-56(63-54)48-26-24-40-17-12-13-22-46(40)38-48/h3-6,8-13,16-34,37-38H,2,7,14-15,35-36H2,1H3/b16-3-
• InChIKey: ZHTIMUNTJYNQQG-XFQLMFQHSA-N
• XLogP: 14.14
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.04
LogP ≤ 5	14.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)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-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine (CID 146384829) is 2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)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-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)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-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine is C=Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8ccccc8c7)n6)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-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine?

The InChIKey is ZHTIMUNTJYNQQG-XFQLMFQHSA-N. The full InChI is InChI=1S/C57H46N6/c1-3-16-45-37-47(25-23-39(45)4-2)55-60-51(41-18-8-5-9-19-41)58-53(62-55)43-27-31-49(32-28-43)57(35-14-7-15-36-57)50-33-29-44(30-34-50)54-59-52(42-20-10-6-11-21-42)61-56(63-54)48-26-24-40-17-12-13-22-46(40)38-48/h3-6,8-13,16-34,37-38H,2,7,14-15,35-36H2,1H3/b16-3-.

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

2-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-4-[4-[1-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 815.04 g/mol, XLogP of 14.14, 10 rotatable bonds, 0 hydrogen bond donors, and 6 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-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146384829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).