2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine

C72H54N12 — CID 134191435

IUPAC2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine
SMILESCc1nc(C)nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C)nc(C)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C)nc(C)n7)cn6)cc5)c4)cc3)nc2)n1
InChIInChI=1S/C72H54N12/c1-43-76-44(2)80-70(79-43)55-31-34-67(73-40-55)52-25-19-49(20-26-52)61-13-7-10-16-64(61)58-37-59(65-17-11-8-14-62(65)50-21-27-53(28-22-50)68-35-32-56(41-74-68)71-81-45(3)77-46(4)82-71)39-60(38-58)66-18-12-9-15-63(66)51-23-29-54(30-24-51)69-36-33-57(42-75-69)72-83-47(5)78-48(6)84-72/h7-42H,1-6H3
InChIKeyVYYQEMBXPUPHKF-UHFFFAOYSA-N
MW1087.31 g/mol
LogP16.28
Rot. Bonds12

About 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine

2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine (PubChem CID 134191435) has the molecular formula C72H54N12 and a molecular weight of 1087.31 g/mol. Its IUPAC name is 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine
PubChem CID134191435
Molecular FormulaC72H54N12
Molecular Weight1087.31 g/mol
Exact Mass1086.46
IUPAC Name2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine
SMILESCc1nc(C)nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C)nc(C)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C)nc(C)n7)cn6)cc5)c4)cc3)nc2)n1
InChIInChI=1S/C72H54N12/c1-43-76-44(2)80-70(79-43)55-31-34-67(73-40-55)52-25-19-49(20-26-52)61-13-7-10-16-64(61)58-37-59(65-17-11-8-14-62(65)50-21-27-53(28-22-50)68-35-32-56(41-74-68)71-81-45(3)77-46(4)82-71)39-60(38-58)66-18-12-9-15-63(66)51-23-29-54(30-24-51)69-36-33-57(42-75-69)72-83-47(5)78-48(6)84-72/h7-42H,1-6H3
InChIKeyVYYQEMBXPUPHKF-UHFFFAOYSA-N
XLogP16.28
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.31
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-[6-[4-[2-[3,5-bis[2-[4-[5-[4,6-di(propan-2-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-di(propan-2-yl)-1,3,5-triazine
CID 122487809
4,6-ditert-butyl-2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]pyrimidine
CID 140838867
2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
2-(4-methoxyphenyl)-5-[2-[3-[2-[6-(4-methoxyphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-methylphenyl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 134179071
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
CID 122487681
2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 140838721
2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine
CID 140838537
2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-(3-phenylphenyl)phenyl]-3-pyridinyl]-4,6-diphenylpyrimidine
CID 140839015
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
CID 161384544
CID 161384544
1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone
CID 126639001
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine?
The IUPAC name of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine (CID 134191435) is 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine?
The canonical SMILES for 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine is Cc1nc(C)nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C)nc(C)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C)nc(C)n7)cn6)cc5)c4)cc3)nc2)n1.
What is the InChIKey of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine?
The InChIKey is VYYQEMBXPUPHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N12/c1-43-76-44(2)80-70(79-43)55-31-34-67(73-40-55)52-25-19-49(20-26-52)61-13-7-10-16-64(61)58-37-59(65-17-11-8-14-62(65)50-21-27-53(28-22-50)68-35-32-56(41-74-68)71-81-45(3)77-46(4)82-71)39-60(38-58)66-18-12-9-15-63(66)51-23-29-54(30-24-51)69-36-33-57(42-75-69)72-83-47(5)78-48(6)84-72/h7-42H,1-6H3.
What are the key properties of 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine?
2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine has a molecular weight of 1087.31 g/mol, XLogP of 16.28, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-[3,5-bis[2-[4-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-pyridinyl]-4,6-dimethyl-1,3,5-triazine is sourced from PubChem (CID 134191435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).