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

C52H34N6 — CID 18787945

IUPAC2-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cccc45)cc3)n2)cc1
InChIInChI=1S/C52H34N6/c1-5-15-37(16-6-1)47-53-48(38-17-7-2-8-18-38)56-51(55-47)41-31-27-35(28-32-41)43-23-13-26-46-44(24-14-25-45(43)46)36-29-33-42(34-30-36)52-57-49(39-19-9-3-10-20-39)54-50(58-52)40-21-11-4-12-22-40/h1-34H
InChIKeyXOPWLCHFHDZIGV-UHFFFAOYSA-N
MW742.89 g/mol
LogP12.55
Rot. Bonds8

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

2-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 18787945) has the molecular formula C52H34N6 and a molecular weight of 742.89 g/mol. Its IUPAC name is 2-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID18787945
Molecular FormulaC52H34N6
Molecular Weight742.89 g/mol
Exact Mass742.28
IUPAC Name2-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cccc45)cc3)n2)cc1
InChIInChI=1S/C52H34N6/c1-5-15-37(16-6-1)47-53-48(38-17-7-2-8-18-38)56-51(55-47)41-31-27-35(28-32-41)43-23-13-26-46-44(24-14-25-45(43)46)36-29-33-42(34-30-36)52-57-49(39-19-9-3-10-20-39)54-50(58-52)40-21-11-4-12-22-40/h1-34H
InChIKeyXOPWLCHFHDZIGV-UHFFFAOYSA-N
XLogP12.55
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.89
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 18787945) is 2-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cccc45)cc3)n2)cc1.
What is the InChIKey of 2-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XOPWLCHFHDZIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N6/c1-5-15-37(16-6-1)47-53-48(38-17-7-2-8-18-38)56-51(55-47)41-31-27-35(28-32-41)43-23-13-26-46-44(24-14-25-45(43)46)36-29-33-42(34-30-36)52-57-49(39-19-9-3-10-20-39)54-50(58-52)40-21-11-4-12-22-40/h1-34H.
What are the key properties of 2-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 742.89 g/mol, XLogP of 12.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 18787945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).