methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine

C48H36N4 — CID 158307635

IUPACmethane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC.Cc1ncccc1-c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C47H32N4.CH4/c1-31-40(21-12-26-48-31)33-24-22-32(23-25-33)37-27-38(44-30-36-17-8-9-18-41(36)42-19-10-11-20-43(42)44)29-39(28-37)47-50-45(34-13-4-2-5-14-34)49-46(51-47)35-15-6-3-7-16-35;/h2-30H,1H3;1H4
InChIKeyGNGXICVQMCCXIU-UHFFFAOYSA-N
MW668.84 g/mol
LogP12.52
Rot. Bonds6

About methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine

methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 158307635) has the molecular formula C48H36N4 and a molecular weight of 668.84 g/mol. Its IUPAC name is methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Namemethane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID158307635
Molecular FormulaC48H36N4
Molecular Weight668.84 g/mol
Exact Mass668.29
IUPAC Namemethane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC.Cc1ncccc1-c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C47H32N4.CH4/c1-31-40(21-12-26-48-31)33-24-22-32(23-25-33)37-27-38(44-30-36-17-8-9-18-41(36)42-19-10-11-20-43(42)44)29-39(28-37)47-50-45(34-13-4-2-5-14-34)49-46(51-47)35-15-6-3-7-16-35;/h2-30H,1H3;1H4
InChIKeyGNGXICVQMCCXIU-UHFFFAOYSA-N
XLogP12.52
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.84
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-(2,4-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 155658951
2-[3-(3-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 140703499
2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
2-[3-phenanthren-9-yl-5-(4-pyrimidin-2-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 122416031
5-[4-[4-[3-phenanthren-9-yl-5-(3-pyrimidin-2-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoxaline
CID 122416073
5-[3-[4,6-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazin-2-yl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,10-phenanthroline
CID 153466323
8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline
CID 171422431
2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639
5-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,10-phenanthroline
CID 159356699
2-(4-dibenzothiophen-1-ylphenyl)-4-(3-phenanthren-9-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 169278827
2-(3-chrysen-6-yl-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 130355580
2-[3-(2,6-dimethyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 176622469

Frequently Asked Questions

What is the IUPAC name of methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine (CID 158307635) is methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine is C.Cc1ncccc1-c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is GNGXICVQMCCXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4.CH4/c1-31-40(21-12-26-48-31)33-24-22-32(23-25-33)37-27-38(44-30-36-17-8-9-18-41(36)42-19-10-11-20-43(42)44)29-39(28-37)47-50-45(34-13-4-2-5-14-34)49-46(51-47)35-15-6-3-7-16-35;/h2-30H,1H3;1H4.
What are the key properties of methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine?
methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 668.84 g/mol, XLogP of 12.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 158307635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).