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

C66H45N7 — CID 163772875

IUPAC2-[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
SMILESCc1cccnc1-c1ccc(-c2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cn4)nc(-c4ccc(-c5cccc6ccccc56)c(C)n4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)nc1C
InChIInChI=1S/C66H45N7/c1-40-15-14-34-67-63(40)51-30-32-60(69-42(51)3)48-35-47(59-38-45-18-6-9-23-54(45)57-24-10-11-25-58(57)59)36-49(37-48)64-71-65(61-31-28-46(39-68-61)55-26-12-19-43-16-4-7-21-52(43)55)73-66(72-64)62-33-29-50(41(2)70-62)56-27-13-20-44-17-5-8-22-53(44)56/h4-39H,1-3H3
InChIKeyMHXWCUBOSYFYIT-UHFFFAOYSA-N
MW936.14 g/mol
LogP16.33
Rot. Bonds8

About 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

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 (PubChem CID 163772875) has the molecular formula C66H45N7 and a molecular weight of 936.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID163772875
Molecular FormulaC66H45N7
Molecular Weight936.14 g/mol
Exact Mass935.37
IUPAC Name2-[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
SMILESCc1cccnc1-c1ccc(-c2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cn4)nc(-c4ccc(-c5cccc6ccccc56)c(C)n4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)nc1C
InChIInChI=1S/C66H45N7/c1-40-15-14-34-67-63(40)51-30-32-60(69-42(51)3)48-35-47(59-38-45-18-6-9-23-54(45)57-24-10-11-25-58(57)59)36-49(37-48)64-71-65(61-31-28-46(39-68-61)55-26-12-19-43-16-4-7-21-52(43)55)73-66(72-64)62-33-29-50(41(2)70-62)56-27-13-20-44-17-5-8-22-53(44)56/h4-39H,1-3H3
InChIKeyMHXWCUBOSYFYIT-UHFFFAOYSA-N
XLogP16.33
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.14
LogP ≤ 516.33
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-[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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
1-[5-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]isoquinoline
CID 118372265
2-(3-methyl-4-naphthalen-1-ylphenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 59273776
methane;2-[3-[4-(2-methyl-3-pyridinyl)phenyl]-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 158307635
2-naphthalen-2-yl-4-[3-phenanthren-9-yl-5-(5-pyrimidin-2-yl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
CID 122416046
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-1,10-phenanthroline
CID 142752631
2-(4-naphthalen-1-ylphenyl)-4-[3-(4-naphthalen-1-yl-3-pyridin-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 171439465
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
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-[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccnc1-c1ccc(-c2cc(-c3nc(-c4ccc(-c5cccc6ccccc56)cn4)nc(-c4ccc(-c5cccc6ccccc56)c(C)n4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)nc1C.
What is the InChIKey of 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?
The InChIKey is MHXWCUBOSYFYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N7/c1-40-15-14-34-67-63(40)51-30-32-60(69-42(51)3)48-35-47(59-38-45-18-6-9-23-54(45)57-24-10-11-25-58(57)59)36-49(37-48)64-71-65(61-31-28-46(39-68-61)55-26-12-19-43-16-4-7-21-52(43)55)73-66(72-64)62-33-29-50(41(2)70-62)56-27-13-20-44-17-5-8-22-53(44)56/h4-39H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 936.14 g/mol, XLogP of 16.33, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163772875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).