2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine

C65H43N7 — CID 122416193

IUPAC2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine
SMILESCc1cccnc1-c1ncc(-c2cc(-c3nc(-c4cccc(-c5cccc6ccccc56)n4)nc(-c4cccc(-c5cccc6ccccc56)n4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)cc1C
InChIInChI=1S/C65H43N7/c1-40-16-15-33-66-61(40)62-41(2)34-48(39-67-62)45-35-46(56-38-44-19-5-8-24-51(44)52-25-9-10-26-53(52)56)37-47(36-45)63-70-64(59-31-13-29-57(68-59)54-27-11-20-42-17-3-6-22-49(42)54)72-65(71-63)60-32-14-30-58(69-60)55-28-12-21-43-18-4-7-23-50(43)55/h3-39H,1-2H3
InChIKeyKVPQEVOQCYTJPR-UHFFFAOYSA-N
MW922.11 g/mol
LogP16.02
Rot. Bonds8

About 2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine

2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine (PubChem CID 122416193) has the molecular formula C65H43N7 and a molecular weight of 922.11 g/mol. Its IUPAC name is 2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine
PubChem CID122416193
Molecular FormulaC65H43N7
Molecular Weight922.11 g/mol
Exact Mass921.36
IUPAC Name2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine
SMILESCc1cccnc1-c1ncc(-c2cc(-c3nc(-c4cccc(-c5cccc6ccccc56)n4)nc(-c4cccc(-c5cccc6ccccc56)n4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)cc1C
InChIInChI=1S/C65H43N7/c1-40-16-15-33-66-61(40)62-41(2)34-48(39-67-62)45-35-46(56-38-44-19-5-8-24-51(44)52-25-9-10-26-53(52)56)37-47(36-45)63-70-64(59-31-13-29-57(68-59)54-27-11-20-42-17-3-6-22-49(42)54)72-65(71-63)60-32-14-30-58(69-60)55-28-12-21-43-18-4-7-23-50(43)55/h3-39H,1-2H3
InChIKeyKVPQEVOQCYTJPR-UHFFFAOYSA-N
XLogP16.02
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.11
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[6-methyl-5-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-phenanthren-9-ylphenyl]-4-(6-methyl-5-naphthalen-1-yl-2-pyridinyl)-6-(5-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine
CID 163772875
2,4-dinaphthalen-1-yl-6-[3-phenanthren-9-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine
CID 122416044
2-[3-(3-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 140703499
5-[4-[3,5-di(phenanthren-9-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]quinoline
CID 146926587
methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 158307635
2-(2,5-dimethyl-4-phenylphenyl)-4-(2-methyl-4-pyridin-2-ylphenyl)-6-[3-phenanthren-9-yl-5-(4-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 122416167
2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 59273776
2-[3-anthracen-9-yl-5-[4-(2-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 163676580
1-[3-(2,6-dinaphthalen-1-yl-4-pyridinyl)-5-isoquinolin-1-ylphenyl]isoquinoline;1-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 159845320
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-1,10-phenanthroline
CID 142752631
4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline
CID 59273800
2-[3-(2,4-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 155658951

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine (CID 122416193) is 2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine is Cc1cccnc1-c1ncc(-c2cc(-c3nc(-c4cccc(-c5cccc6ccccc56)n4)nc(-c4cccc(-c5cccc6ccccc56)n4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)cc1C.
What is the InChIKey of 2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine?
The InChIKey is KVPQEVOQCYTJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43N7/c1-40-16-15-33-66-61(40)62-41(2)34-48(39-67-62)45-35-46(56-38-44-19-5-8-24-51(44)52-25-9-10-26-53(52)56)37-47(36-45)63-70-64(59-31-13-29-57(68-59)54-27-11-20-42-17-3-6-22-49(42)54)72-65(71-63)60-32-14-30-58(69-60)55-28-12-21-43-18-4-7-23-50(43)55/h3-39H,1-2H3.
What are the key properties of 2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine?
2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine has a molecular weight of 922.11 g/mol, XLogP of 16.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-methyl-6-(3-methyl-2-pyridinyl)-3-pyridinyl]-5-phenanthren-9-ylphenyl]-4,6-bis(6-naphthalen-1-yl-2-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 122416193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).