2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine

C100H77N9 — CID 163568531

IUPAC2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc2ccccc2c2ccccc12.Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Cc1ccc2cc(-c3cc4ccccc4c4ccccc34)ccc2c1.Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C25H18.2C22H17N3.C16H13N3.C15H12/c1-17-10-11-19-15-21(13-12-18(19)14-17)25-16-20-6-2-3-7-22(20)23-8-4-5-9-24(23)25;1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21(25-22)18-12-6-3-7-13-18;1-16-12-14-19(15-13-16)22-24-20(17-8-4-2-5-9-17)23-21(25-22)18-10-6-3-7-11-18;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15/h2-16H,1H3;2*2-15H,1H3;2-11H,1H3;2-10H,1H3
InChIKeyFXFYQQNJOLUXPY-UHFFFAOYSA-N
MW1404.78 g/mol
LogP25.30
Rot. Bonds9

About 2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine

2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 163568531) has the molecular formula C100H77N9 and a molecular weight of 1404.78 g/mol. Its IUPAC name is 2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID163568531
Molecular FormulaC100H77N9
Molecular Weight1404.78 g/mol
Exact Mass1403.63
IUPAC Name2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc2ccccc2c2ccccc12.Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Cc1ccc2cc(-c3cc4ccccc4c4ccccc34)ccc2c1.Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C25H18.2C22H17N3.C16H13N3.C15H12/c1-17-10-11-19-15-21(13-12-18(19)14-17)25-16-20-6-2-3-7-22(20)23-8-4-5-9-24(23)25;1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21(25-22)18-12-6-3-7-13-18;1-16-12-14-19(15-13-16)22-24-20(17-8-4-2-5-9-17)23-21(25-22)18-10-6-3-7-11-18;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15/h2-16H,1H3;2*2-15H,1H3;2-11H,1H3;2-10H,1H3
InChIKeyFXFYQQNJOLUXPY-UHFFFAOYSA-N
XLogP25.30
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001404.78
LogP ≤ 525.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 163568531) is 2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine is Cc1cc2ccccc2c2ccccc12.Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.Cc1ccc2cc(-c3cc4ccccc4c4ccccc34)ccc2c1.Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is FXFYQQNJOLUXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.2C22H17N3.C16H13N3.C15H12/c1-17-10-11-19-15-21(13-12-18(19)14-17)25-16-20-6-2-3-7-22(20)23-8-4-5-9-24(23)25;1-16-9-8-14-19(15-16)22-24-20(17-10-4-2-5-11-17)23-21(25-22)18-12-6-3-7-13-18;1-16-12-14-19(15-13-16)22-24-20(17-8-4-2-5-9-17)23-21(25-22)18-10-6-3-7-11-18;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15/h2-16H,1H3;2*2-15H,1H3;2-11H,1H3;2-10H,1H3.
What are the key properties of 2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1404.78 g/mol, XLogP of 25.30, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6-diphenyl-1,3,5-triazine;9-(6-methylnaphthalen-2-yl)phenanthrene;9-methylphenanthrene;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 163568531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).