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

C56H42N6 — CID 54132790

IUPAC2-[4-[5-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(3-methylphenyl)-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3ccc(-c4cccc5c(-c6ccc(-c7nc(-c8cccc(C)c8)nc(-c8cccc(C)c8)n7)cc6)cccc45)cc3)nc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C56H42N6/c1-35-11-5-15-43(31-35)53-57-51(58-54(61-53)44-16-6-12-36(2)32-44)41-27-23-39(24-28-41)47-19-9-22-50-48(20-10-21-49(47)50)40-25-29-42(30-26-40)52-59-55(45-17-7-13-37(3)33-45)62-56(60-52)46-18-8-14-38(4)34-46/h5-34H,1-4H3
InChIKeyNVNNXEFITZRKOF-UHFFFAOYSA-N
MW798.99 g/mol
LogP13.78
Rot. Bonds8

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

2-[4-[5-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(3-methylphenyl)-1,3,5-triazine (PubChem CID 54132790) 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(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(3-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[5-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(3-methylphenyl)-1,3,5-triazine
PubChem CID54132790
Molecular FormulaC56H42N6
Molecular Weight798.99 g/mol
Exact Mass798.35
IUPAC Name2-[4-[5-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(3-methylphenyl)-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3ccc(-c4cccc5c(-c6ccc(-c7nc(-c8cccc(C)c8)nc(-c8cccc(C)c8)n7)cc6)cccc45)cc3)nc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C56H42N6/c1-35-11-5-15-43(31-35)53-57-51(58-54(61-53)44-16-6-12-36(2)32-44)41-27-23-39(24-28-41)47-19-9-22-50-48(20-10-21-49(47)50)40-25-29-42(30-26-40)52-59-55(45-17-7-13-37(3)33-45)62-56(60-52)46-18-8-14-38(4)34-46/h5-34H,1-4H3
InChIKeyNVNNXEFITZRKOF-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(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(3-methylphenyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(3-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[5-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(3-methylphenyl)-1,3,5-triazine (CID 54132790) is 2-[4-[5-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(3-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[5-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(3-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[5-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(3-methylphenyl)-1,3,5-triazine is Cc1cccc(-c2nc(-c3ccc(-c4cccc5c(-c6ccc(-c7nc(-c8cccc(C)c8)nc(-c8cccc(C)c8)n7)cc6)cccc45)cc3)nc(-c3cccc(C)c3)n2)c1.
What is the InChIKey of 2-[4-[5-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(3-methylphenyl)-1,3,5-triazine?
The InChIKey is NVNNXEFITZRKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N6/c1-35-11-5-15-43(31-35)53-57-51(58-54(61-53)44-16-6-12-36(2)32-44)41-27-23-39(24-28-41)47-19-9-22-50-48(20-10-21-49(47)50)40-25-29-42(30-26-40)52-59-55(45-17-7-13-37(3)33-45)62-56(60-52)46-18-8-14-38(4)34-46/h5-34H,1-4H3.
What are the key properties of 2-[4-[5-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(3-methylphenyl)-1,3,5-triazine?
2-[4-[5-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(3-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(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-bis(3-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 54132790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).