2-[3-[3-[3-[3-[4,5-dimethyl-3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C70H62N6 — CID 146359893

About 2-[3-[3-[3-[3-[4,5-dimethyl-3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-[3-[3-[3-[3-[4,5-dimethyl-3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 146359893) has the molecular formula C70H62N6 and a molecular weight of 987.31 g/mol. Its IUPAC name is 2-[3-[3-[3-[3-[4,5-dimethyl-3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[3-[3-[3-[4,5-dimethyl-3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 146359893
• Molecular Formula: C70H62N6
• Molecular Weight: 987.31 g/mol
• Exact Mass: 986.50
• IUPAC Name: 2-[3-[3-[3-[3-[4,5-dimethyl-3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: CC1CC=CC=C1C1=NC(c2ccccc2)=NC(C2C=C(c3cccc(C4C=C(c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)c6)c5)C=CC4C)c3)CC(C)C2C)N1
• InChI: InChI=1S/C70H62N6/c1-45-20-14-15-35-62(45)69-74-66(51-25-12-7-13-26-51)75-70(76-69)64-44-61(38-47(3)48(64)4)56-31-17-32-58(40-56)63-43-57(37-36-46(63)2)54-29-16-28-53(39-54)55-30-19-34-60(42-55)68-72-65(50-23-10-6-11-24-50)71-67(73-68)59-33-18-27-52(41-59)49-21-8-5-9-22-49/h5-19,21-37,39-48,63-64,70H,20,38H2,1-4H3,(H,74,75,76)
• InChIKey: DZNXEAUDRCALRW-UHFFFAOYSA-N
• XLogP: 16.55
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	987.31
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-[3-[4,5-dimethyl-3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[3-[3-[3-[3-[4,5-dimethyl-3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 146359893) is 2-[3-[3-[3-[3-[4,5-dimethyl-3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[3-[3-[3-[3-[4,5-dimethyl-3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[3-[3-[3-[3-[4,5-dimethyl-3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is CC1CC=CC=C1C1=NC(c2ccccc2)=NC(C2C=C(c3cccc(C4C=C(c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)c6)c5)C=CC4C)c3)CC(C)C2C)N1.

What is the InChIKey of 2-[3-[3-[3-[3-[4,5-dimethyl-3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?

The InChIKey is DZNXEAUDRCALRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H62N6/c1-45-20-14-15-35-62(45)69-74-66(51-25-12-7-13-26-51)75-70(76-69)64-44-61(38-47(3)48(64)4)56-31-17-32-58(40-56)63-43-57(37-36-46(63)2)54-29-16-28-53(39-54)55-30-19-34-60(42-55)68-72-65(50-23-10-6-11-24-50)71-67(73-68)59-33-18-27-52(41-59)49-21-8-5-9-22-49/h5-19,21-37,39-48,63-64,70H,20,38H2,1-4H3,(H,74,75,76).

What are the key properties of 2-[3-[3-[3-[3-[4,5-dimethyl-3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?

2-[3-[3-[3-[3-[4,5-dimethyl-3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 987.31 g/mol, XLogP of 16.55, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3-[3-[4,5-dimethyl-3-[6-(6-methylcyclohexa-1,3-dien-1-yl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]cyclohexen-1-yl]phenyl]-4-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146359893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).