2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol

C44H28N6O2 — CID 136621403

About 2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol

2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol (PubChem CID 136621403) has the molecular formula C44H28N6O2 and a molecular weight of 672.75 g/mol. Its IUPAC name is 2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol
• PubChem CID: 136621403
• Molecular Formula: C44H28N6O2
• Molecular Weight: 672.75 g/mol
• Exact Mass: 672.23
• IUPAC Name: 2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol
• SMILES: Oc1ccccc1-c1nc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccccc4O)n3)cc2)nc(-c2ccc3ccccc3c2)n1
• InChI: InChI=1S/C44H28N6O2/c51-37-15-7-5-13-35(37)43-47-39(45-41(49-43)33-23-17-27-9-1-3-11-31(27)25-33)29-19-21-30(22-20-29)40-46-42(34-24-18-28-10-2-4-12-32(28)26-34)50-44(48-40)36-14-6-8-16-38(36)52/h1-26,51-52H
• InChIKey: HZUYEPHXGFCVHM-UHFFFAOYSA-N
• XLogP: 9.78
• TPSA: 117.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.75
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol?

The IUPAC name of 2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol (CID 136621403) is 2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol.

What is the SMILES notation for 2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol?

The canonical SMILES for 2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol is Oc1ccccc1-c1nc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccccc4O)n3)cc2)nc(-c2ccc3ccccc3c2)n1.

What is the InChIKey of 2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol?

The InChIKey is HZUYEPHXGFCVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6O2/c51-37-15-7-5-13-35(37)43-47-39(45-41(49-43)33-23-17-27-9-1-3-11-31(27)25-33)29-19-21-30(22-20-29)40-46-42(34-24-18-28-10-2-4-12-32(28)26-34)50-44(48-40)36-14-6-8-16-38(36)52/h1-26,51-52H.

What are the key properties of 2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol?

2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol has a molecular weight of 672.75 g/mol, XLogP of 9.78, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[4-(2-hydroxyphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 136621403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).