2-[3-[3-[3-[3-methyl-4,6-bis(3-phenylphenyl)-2,4-dihydro-1H-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

C73H54N6 — CID 164976790

About 2-[3-[3-[3-[3-methyl-4,6-bis(3-phenylphenyl)-2,4-dihydro-1H-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

2-[3-[3-[3-[3-methyl-4,6-bis(3-phenylphenyl)-2,4-dihydro-1H-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 164976790) has the molecular formula C73H54N6 and a molecular weight of 1015.28 g/mol. Its IUPAC name is 2-[3-[3-[3-[3-methyl-4,6-bis(3-phenylphenyl)-2,4-dihydro-1H-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-[3-[3-[3-methyl-4,6-bis(3-phenylphenyl)-2,4-dihydro-1H-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 164976790
• Molecular Formula: C73H54N6
• Molecular Weight: 1015.28 g/mol
• Exact Mass: 1014.44
• IUPAC Name: 2-[3-[3-[3-[3-methyl-4,6-bis(3-phenylphenyl)-2,4-dihydro-1H-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: CN1C(c2cccc(-c3ccccc3)c2)N=C(c2cccc(-c3ccccc3)c2)NC1c1cccc(-c2cccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)c2)c1
• InChI: InChI=1S/C73H54N6/c1-79-72(66-38-18-30-58(48-66)53-26-12-5-13-27-53)77-71(65-37-16-29-57(46-65)52-24-10-4-11-25-52)78-73(79)67-39-19-34-62(49-67)60-32-14-31-59(44-60)61-33-17-36-64(47-61)70-75-68(55-42-40-54(41-43-55)50-20-6-2-7-21-50)74-69(76-70)63-35-15-28-56(45-63)51-22-8-3-9-23-51/h2-49,72-73H,1H3,(H,77,78)
• InChIKey: DXCWWRYRZMERTB-UHFFFAOYSA-N
• XLogP: 17.55
• TPSA: 66.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1015.28
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-[3-methyl-4,6-bis(3-phenylphenyl)-2,4-dihydro-1H-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[3-[3-[3-[3-methyl-4,6-bis(3-phenylphenyl)-2,4-dihydro-1H-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 164976790) is 2-[3-[3-[3-[3-methyl-4,6-bis(3-phenylphenyl)-2,4-dihydro-1H-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[3-[3-[3-[3-methyl-4,6-bis(3-phenylphenyl)-2,4-dihydro-1H-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[3-[3-[3-[3-methyl-4,6-bis(3-phenylphenyl)-2,4-dihydro-1H-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is CN1C(c2cccc(-c3ccccc3)c2)N=C(c2cccc(-c3ccccc3)c2)NC1c1cccc(-c2cccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5cccc(-c6ccccc6)c5)n4)c3)c2)c1.

What is the InChIKey of 2-[3-[3-[3-[3-methyl-4,6-bis(3-phenylphenyl)-2,4-dihydro-1H-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is DXCWWRYRZMERTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H54N6/c1-79-72(66-38-18-30-58(48-66)53-26-12-5-13-27-53)77-71(65-37-16-29-57(46-65)52-24-10-4-11-25-52)78-73(79)67-39-19-34-62(49-67)60-32-14-31-59(44-60)61-33-17-36-64(47-61)70-75-68(55-42-40-54(41-43-55)50-20-6-2-7-21-50)74-69(76-70)63-35-15-28-56(45-63)51-22-8-3-9-23-51/h2-49,72-73H,1H3,(H,77,78).

What are the key properties of 2-[3-[3-[3-[3-methyl-4,6-bis(3-phenylphenyl)-2,4-dihydro-1H-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?

2-[3-[3-[3-[3-methyl-4,6-bis(3-phenylphenyl)-2,4-dihydro-1H-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 1015.28 g/mol, XLogP of 17.55, 12 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-methyl-4,6-bis(3-phenylphenyl)-2,4-dihydro-1H-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164976790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).