2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine

C58H42N4 — CID 140838721

IUPAC2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESCc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2-c2ccccc2)c1
InChIInChI=1S/C58H42N4/c1-39-32-40(2)34-50(33-39)51-26-12-13-27-52(51)53-30-28-46(37-54(53)43-20-10-5-11-21-43)55-31-29-49(38-59-55)58-61-56(47-24-14-22-44(35-47)41-16-6-3-7-17-41)60-57(62-58)48-25-15-23-45(36-48)42-18-8-4-9-19-42/h3-38H,1-2H3
InChIKeyJJLIPNFLISJUFN-UHFFFAOYSA-N
MW795.00 g/mol
LogP14.89
Rot. Bonds9

About 2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine

2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 140838721) has the molecular formula C58H42N4 and a molecular weight of 795.00 g/mol. Its IUPAC name is 2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
PubChem CID140838721
Molecular FormulaC58H42N4
Molecular Weight795.00 g/mol
Exact Mass794.34
IUPAC Name2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESCc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2-c2ccccc2)c1
InChIInChI=1S/C58H42N4/c1-39-32-40(2)34-50(33-39)51-26-12-13-27-52(51)53-30-28-46(37-54(53)43-20-10-5-11-21-43)55-31-29-49(38-59-55)58-61-56(47-24-14-22-44(35-47)41-16-6-3-7-17-41)60-57(62-58)48-25-15-23-45(36-48)42-18-8-4-9-19-42/h3-38H,1-2H3
InChIKeyJJLIPNFLISJUFN-UHFFFAOYSA-N
XLogP14.89
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-(3-phenylphenyl)phenyl]-3-pyridinyl]-4,6-diphenylpyrimidine
CID 140839015
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 140838695
2,4-bis(4-tert-butylphenyl)-6-[6-[3-(3,5-dimethylphenyl)-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine
CID 140838472
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 140838956
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052388
2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
CID 121264855
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052601
1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene)
CID 159368011
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-dimethylpyrimidine
CID 140838837
2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine
CID 140838537
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052309

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (CID 140838721) is 2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is Cc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cn3)cc2-c2ccccc2)c1.
What is the InChIKey of 2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is JJLIPNFLISJUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N4/c1-39-32-40(2)34-50(33-39)51-26-12-13-27-52(51)53-30-28-46(37-54(53)43-20-10-5-11-21-43)55-31-29-49(38-59-55)58-61-56(47-24-14-22-44(35-47)41-16-6-3-7-17-41)60-57(62-58)48-25-15-23-45(36-48)42-18-8-4-9-19-42/h3-38H,1-2H3.
What are the key properties of 2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 795.00 g/mol, XLogP of 14.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 140838721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).