2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine

C54H32F6N6 — CID 118075091

IUPAC2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(C(F)(F)F)cc8)n7)cc6)c45)cc3)n2)cc1
InChIInChI=1S/C54H32F6N6/c55-53(56,57)42-29-25-40(26-30-42)51-63-47(36-9-3-1-4-10-36)61-49(65-51)38-21-17-33(18-22-38)44-15-7-13-35-14-8-16-45(46(35)44)34-19-23-39(24-20-34)50-62-48(37-11-5-2-6-12-37)64-52(66-50)41-27-31-43(32-28-41)54(58,59)60/h1-32H
InChIKeyISNNLOGRKBLUGH-UHFFFAOYSA-N
MW878.88 g/mol
LogP14.58
Rot. Bonds8

About 2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine

2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine (PubChem CID 118075091) has the molecular formula C54H32F6N6 and a molecular weight of 878.88 g/mol. Its IUPAC name is 2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
PubChem CID118075091
Molecular FormulaC54H32F6N6
Molecular Weight878.88 g/mol
Exact Mass878.26
IUPAC Name2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(C(F)(F)F)cc8)n7)cc6)c45)cc3)n2)cc1
InChIInChI=1S/C54H32F6N6/c55-53(56,57)42-29-25-40(26-30-42)51-63-47(36-9-3-1-4-10-36)61-49(65-51)38-21-17-33(18-22-38)44-15-7-13-35-14-8-16-45(46(35)44)34-19-23-39(24-20-34)50-62-48(37-11-5-2-6-12-37)64-52(66-50)41-27-31-43(32-28-41)54(58,59)60/h1-32H
InChIKeyISNNLOGRKBLUGH-UHFFFAOYSA-N
XLogP14.58
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.88
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine (CID 118075091) is 2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine is FC(F)(F)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccc(C(F)(F)F)cc8)n7)cc6)c45)cc3)n2)cc1.
What is the InChIKey of 2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
The InChIKey is ISNNLOGRKBLUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32F6N6/c55-53(56,57)42-29-25-40(26-30-42)51-63-47(36-9-3-1-4-10-36)61-49(65-51)38-21-17-33(18-22-38)44-15-7-13-35-14-8-16-45(46(35)44)34-19-23-39(24-20-34)50-62-48(37-11-5-2-6-12-37)64-52(66-50)41-27-31-43(32-28-41)54(58,59)60/h1-32H.
What are the key properties of 2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine?
2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine has a molecular weight of 878.88 g/mol, XLogP of 14.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[4-[8-[4-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 118075091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).