2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C53H38N6 — CID 139551278

IUPAC2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2ccc(-c3ccc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4c3)cc2)=NC1c1ccccc1
InChIInChI=1S/C53H38N6/c1-59-52(43-18-10-4-11-19-43)57-51(58-53(59)44-20-12-5-13-21-44)42-30-24-37(25-31-42)46-33-27-38-26-32-45(34-47(38)35-46)36-22-28-41(29-23-36)50-55-48(39-14-6-2-7-15-39)54-49(56-50)40-16-8-3-9-17-40/h2-35,52H,1H3
InChIKeyHXVCGAFEFKENQY-UHFFFAOYSA-N
MW758.93 g/mol
LogP12.20
Rot. Bonds8

About 2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 139551278) has the molecular formula C53H38N6 and a molecular weight of 758.93 g/mol. Its IUPAC name is 2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID139551278
Molecular FormulaC53H38N6
Molecular Weight758.93 g/mol
Exact Mass758.32
IUPAC Name2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2ccc(-c3ccc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4c3)cc2)=NC1c1ccccc1
InChIInChI=1S/C53H38N6/c1-59-52(43-18-10-4-11-19-43)57-51(58-53(59)44-20-12-5-13-21-44)42-30-24-37(25-31-42)46-33-27-38-26-32-45(34-47(38)35-46)36-22-28-41(29-23-36)50-55-48(39-14-6-2-7-15-39)54-49(56-50)40-16-8-3-9-17-40/h2-35,52H,1H3
InChIKeyHXVCGAFEFKENQY-UHFFFAOYSA-N
XLogP12.20
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.93
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-methyl-2-(3-phenylphenyl)-2H-1,3,5-triazin-4-yl]benzonitrile
CID 163672224
1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine
CID 122431241
4-cyclohexa-1,5-dien-1-yl-1-methyl-6-phenyl-2-[4-[7-[4-(5-phenyl-1,2,4-triazolidin-3-yl)phenyl]naphthalen-2-yl]phenyl]-2H-1,3,5-triazine
CID 174298006
3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118004609
1-methyl-6-[4-[1-[4-(10-methyltriphenylen-2-yl)phenyl]naphthalen-2-yl]phenyl]-4-phenyl-2-(4-phenylphenyl)-2H-1,3,5-triazine
CID 142593018
4-[4-(4,6-dimethylpyrimidin-2-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-1-methyl-2-phenyl-2H-1,3,5-triazine
CID 130180907
4-[3-(4-cyanophenyl)-5-[9,9-difluoro-7-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)fluoren-2-yl]phenyl]benzonitrile
CID 135247155
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216
2-[3-[3-[3-[3-[3-[3-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-6-phenyl-2H-1,3,5-triazin-4-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 164991376
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)indolo[3,2-b]carbazole
CID 123583824
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 139551278) is 2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is CN1C(c2ccccc2)=NC(c2ccc(-c3ccc4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cc4c3)cc2)=NC1c1ccccc1.
What is the InChIKey of 2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is HXVCGAFEFKENQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N6/c1-59-52(43-18-10-4-11-19-43)57-51(58-53(59)44-20-12-5-13-21-44)42-30-24-37(25-31-42)46-33-27-38-26-32-45(34-47(38)35-46)36-22-28-41(29-23-36)50-55-48(39-14-6-2-7-15-39)54-49(56-50)40-16-8-3-9-17-40/h2-35,52H,1H3.
What are the key properties of 2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 758.93 g/mol, XLogP of 12.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 139551278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).