1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine

C30H23N3 — CID 122431241

IUPAC1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2ccccc2)=NC1c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C30H23N3/c1-33-29(23-13-6-3-7-14-23)31-28(22-11-4-2-5-12-22)32-30(33)25-18-19-27-24(20-25)17-16-21-10-8-9-15-26(21)27/h2-20,30H,1H3
InChIKeyRVWMCRPNTBWMMG-UHFFFAOYSA-N
MW425.54 g/mol
LogP6.83
Rot. Bonds3

About 1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine

1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine (PubChem CID 122431241) has the molecular formula C30H23N3 and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine.

Molecular Properties

Compound Name1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine
PubChem CID122431241
Molecular FormulaC30H23N3
Molecular Weight425.54 g/mol
Exact Mass425.19
IUPAC Name1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2ccccc2)=NC1c1ccc2c(ccc3ccccc32)c1
InChIInChI=1S/C30H23N3/c1-33-29(23-13-6-3-7-14-23)31-28(22-11-4-2-5-12-22)32-30(33)25-18-19-27-24(20-25)17-16-21-10-8-9-15-26(21)27/h2-20,30H,1H3
InChIKeyRVWMCRPNTBWMMG-UHFFFAOYSA-N
XLogP6.83
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
1-methyl-4-phenanthren-3-yl-6-phenyl-2-[3-(4-phenylphenyl)-5-pyridin-2-ylphenyl]-2H-1,3,5-triazine
CID 159367985
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
1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine
CID 170230680
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
2-[4-[4-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 146647308
16-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]-2,13-dioxa-16-azahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-1(14),3,5,7,9,11,15(23),17,19,21,24-undecaene
CID 145110153
7-[7-(1-methyl-2,6-dinaphthalen-2-yl-2H-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]benzo[c]carbazole
CID 170117986
7,7-dimethyl-5-[4-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 163832485
12-[3-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 163972576
2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine
CID 139441741
9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole
CID 135160707

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine?
The IUPAC name of 1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine (CID 122431241) is 1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine.
What is the SMILES notation for 1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine?
The canonical SMILES for 1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine is CN1C(c2ccccc2)=NC(c2ccccc2)=NC1c1ccc2c(ccc3ccccc32)c1.
What is the InChIKey of 1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine?
The InChIKey is RVWMCRPNTBWMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3/c1-33-29(23-13-6-3-7-14-23)31-28(22-11-4-2-5-12-22)32-30(33)25-18-19-27-24(20-25)17-16-21-10-8-9-15-26(21)27/h2-20,30H,1H3.
What are the key properties of 1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine?
1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine has a molecular weight of 425.54 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenanthren-2-yl-4,6-diphenyl-2H-1,3,5-triazine is sourced from PubChem (CID 122431241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).