methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine

C53H39N3 — CID 159922671

About methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine

methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine (PubChem CID 159922671) has the molecular formula C53H39N3 and a molecular weight of 717.92 g/mol. Its IUPAC name is methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
• PubChem CID: 159922671
• Molecular Formula: C53H39N3
• Molecular Weight: 717.92 g/mol
• Exact Mass: 717.31
• IUPAC Name: methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
• SMILES: C.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5Cc5c(-c7cccc(-c8ccccc8)c7)cccc5-6)c4)n3)cc2)cc1
• InChI: InChI=1S/C52H35N3.CH4/c1-4-14-35(15-5-1)37-28-30-39(31-29-37)51-53-50(38-18-8-3-9-19-38)54-52(55-51)43-23-11-22-42(33-43)45-25-13-27-47-46-26-12-24-44(48(46)34-49(45)47)41-21-10-20-40(32-41)36-16-6-2-7-17-36;/h1-33H,34H2;1H4
• InChIKey: NYPLKQJJRWENPI-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.92
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine?

The IUPAC name of methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine (CID 159922671) is methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine.

What is the SMILES notation for methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine?

The canonical SMILES for methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine is C.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5Cc5c(-c7cccc(-c8ccccc8)c7)cccc5-6)c4)n3)cc2)cc1.

What is the InChIKey of methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine?

The InChIKey is NYPLKQJJRWENPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3.CH4/c1-4-14-35(15-5-1)37-28-30-39(31-29-37)51-53-50(38-18-8-3-9-19-38)54-52(55-51)43-23-11-22-42(33-43)45-25-13-27-47-46-26-12-24-44(48(46)34-49(45)47)41-21-10-20-40(32-41)36-16-6-2-7-17-36;/h1-33H,34H2;1H4.

What are the key properties of methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine?

methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine has a molecular weight of 717.92 g/mol, XLogP of 13.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 159922671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).