2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine

C56H42N6 — CID 118133292

IUPAC2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine
SMILESCc1ccccc1-c1nc(-c2cccc(-c3ccc4cccc(-c5cccc(-c6nc(-c7ccccc7C)nc(-c7ccccc7C)n6)c5)c4c3)c2)nc(-c2ccccc2C)n1
InChIInChI=1S/C56H42N6/c1-35-16-5-9-25-45(35)53-57-51(58-54(61-53)46-26-10-6-17-36(46)2)43-23-13-21-40(32-43)41-31-30-39-20-15-29-49(50(39)34-41)42-22-14-24-44(33-42)52-59-55(47-27-11-7-18-37(47)3)62-56(60-52)48-28-12-8-19-38(48)4/h5-34H,1-4H3
InChIKeyUDCXOLHARYHRAC-UHFFFAOYSA-N
MW798.99 g/mol
LogP13.78
Rot. Bonds8

About 2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine

2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine (PubChem CID 118133292) has the molecular formula C56H42N6 and a molecular weight of 798.99 g/mol. Its IUPAC name is 2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine
PubChem CID118133292
Molecular FormulaC56H42N6
Molecular Weight798.99 g/mol
Exact Mass798.35
IUPAC Name2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine
SMILESCc1ccccc1-c1nc(-c2cccc(-c3ccc4cccc(-c5cccc(-c6nc(-c7ccccc7C)nc(-c7ccccc7C)n6)c5)c4c3)c2)nc(-c2ccccc2C)n1
InChIInChI=1S/C56H42N6/c1-35-16-5-9-25-45(35)53-57-51(58-54(61-53)46-26-10-6-17-36(46)2)43-23-13-21-40(32-43)41-31-30-39-20-15-29-49(50(39)34-41)42-22-14-24-44(33-42)52-59-55(47-27-11-7-18-37(47)3)62-56(60-52)48-28-12-8-19-38(48)4/h5-34H,1-4H3
InChIKeyUDCXOLHARYHRAC-UHFFFAOYSA-N
XLogP13.78
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.99
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(4-naphthalen-2-ylnaphthalen-1-yl)-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(7-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076782
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4,6-bis(7-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076797
2-(2-methylphenyl)-4,6-bis(3-naphthalen-1-ylphenyl)pyrimidine
CID 123694324
2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 121258017
2-[4-[5-[4-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-2-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine
CID 118075184
2-[8-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244524
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
CID 164943651
CID 164943651
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622
2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278821
2-(7-phenylnaphthalen-1-yl)-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797638

Frequently Asked Questions

What is the IUPAC name of 2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine (CID 118133292) is 2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine is Cc1ccccc1-c1nc(-c2cccc(-c3ccc4cccc(-c5cccc(-c6nc(-c7ccccc7C)nc(-c7ccccc7C)n6)c5)c4c3)c2)nc(-c2ccccc2C)n1.
What is the InChIKey of 2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine?
The InChIKey is UDCXOLHARYHRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N6/c1-35-16-5-9-25-45(35)53-57-51(58-54(61-53)46-26-10-6-17-36(46)2)43-23-13-21-40(32-43)41-31-30-39-20-15-29-49(50(39)34-41)42-22-14-24-44(33-42)52-59-55(47-27-11-7-18-37(47)3)62-56(60-52)48-28-12-8-19-38(48)4/h5-34H,1-4H3.
What are the key properties of 2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine?
2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine has a molecular weight of 798.99 g/mol, XLogP of 13.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[7-[3-[4,6-bis(2-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(2-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 118133292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).