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

C56H42N6 — CID 118075184

IUPAC2-[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
SMILESCc1ccccc1-c1nc(-c2ccc(-c3ccc4c(-c5ccc(-c6nc(-c7ccccc7C)nc(-c7ccccc7C)n6)cc5)cccc4c3)cc2)nc(-c2ccccc2C)n1
InChIInChI=1S/C56H42N6/c1-35-14-5-9-19-45(35)53-57-51(58-54(61-53)46-20-10-6-15-36(46)2)41-28-24-39(25-29-41)43-32-33-50-44(34-43)18-13-23-49(50)40-26-30-42(31-27-40)52-59-55(47-21-11-7-16-37(47)3)62-56(60-52)48-22-12-8-17-38(48)4/h5-34H,1-4H3
InChIKeyKDGMFQMQAYRBQR-UHFFFAOYSA-N
MW798.99 g/mol
LogP13.78
Rot. Bonds8

About 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

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 (PubChem CID 118075184) has the molecular formula C56H42N6 and a molecular weight of 798.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID118075184
Molecular FormulaC56H42N6
Molecular Weight798.99 g/mol
Exact Mass798.35
IUPAC Name2-[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
SMILESCc1ccccc1-c1nc(-c2ccc(-c3ccc4c(-c5ccc(-c6nc(-c7ccccc7C)nc(-c7ccccc7C)n6)cc5)cccc4c3)cc2)nc(-c2ccccc2C)n1
InChIInChI=1S/C56H42N6/c1-35-14-5-9-19-45(35)53-57-51(58-54(61-53)46-20-10-6-15-36(46)2)41-28-24-39(25-29-41)43-32-33-50-44(34-43)18-13-23-49(50)40-26-30-42(31-27-40)52-59-55(47-21-11-7-16-37(47)3)62-56(60-52)48-22-12-8-17-38(48)4/h5-34H,1-4H3
InChIKeyKDGMFQMQAYRBQR-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-[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 with MolForge

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Related Compounds

2,4-diphenyl-6-[4-[6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine;2-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-[3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 160754470
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076754
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511
2-naphthalen-1-yl-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 167133977
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
2-(2-methylphenyl)-4-(4-pyren-1-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130263080
2-(6-naphthalen-2-ylnaphthalen-2-yl)-4-(3-naphthalen-2-ylphenyl)-6-(6-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076693
2-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
2-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159163792
2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
CID 158833777
2-(2,5-diphenylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297414
2-(5-naphthalen-2-ylnaphthalen-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176588131

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1-c1nc(-c2ccc(-c3ccc4c(-c5ccc(-c6nc(-c7ccccc7C)nc(-c7ccccc7C)n6)cc5)cccc4c3)cc2)nc(-c2ccccc2C)n1.
What is the InChIKey of 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?
The InChIKey is KDGMFQMQAYRBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N6/c1-35-14-5-9-19-45(35)53-57-51(58-54(61-53)46-20-10-6-15-36(46)2)41-28-24-39(25-29-41)43-32-33-50-44(34-43)18-13-23-49(50)40-26-30-42(31-27-40)52-59-55(47-21-11-7-16-37(47)3)62-56(60-52)48-22-12-8-17-38(48)4/h5-34H,1-4H3.
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 118075184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).