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

C56H54N4 — CID 140838472

IUPAC2,4-bis(4-tert-butylphenyl)-6-[6-[3-(3,5-dimethylphenyl)-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine
SMILESCc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccc(C(C)(C)C)cc5)nc(-c5ccc(C(C)(C)C)cc5)n4)cn3)cc2-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C56H54N4/c1-35-27-36(2)30-43(29-35)47-13-11-12-14-48(47)49-25-19-41(33-50(49)44-31-37(3)28-38(4)32-44)51-26-20-42(34-57-51)54-59-52(39-15-21-45(22-16-39)55(5,6)7)58-53(60-54)40-17-23-46(24-18-40)56(8,9)10/h11-34H,1-10H3
InChIKeySWJUPWTXGQHWDS-UHFFFAOYSA-N
MW783.08 g/mol
LogP14.76
Rot. Bonds7

About 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

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 (PubChem CID 140838472) has the molecular formula C56H54N4 and a molecular weight of 783.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-[6-[3-(3,5-dimethylphenyl)-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine
PubChem CID140838472
Molecular FormulaC56H54N4
Molecular Weight783.08 g/mol
Exact Mass782.43
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-[6-[3-(3,5-dimethylphenyl)-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-1,3,5-triazine
SMILESCc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccc(C(C)(C)C)cc5)nc(-c5ccc(C(C)(C)C)cc5)n4)cn3)cc2-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C56H54N4/c1-35-27-36(2)30-43(29-35)47-13-11-12-14-48(47)49-25-19-41(33-50(49)44-31-37(3)28-38(4)32-44)51-26-20-42(34-57-51)54-59-52(39-15-21-45(22-16-39)55(5,6)7)58-53(60-54)40-17-23-46(24-18-40)56(8,9)10/h11-34H,1-10H3
InChIKeySWJUPWTXGQHWDS-UHFFFAOYSA-N
XLogP14.76
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.08
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-phenylphenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 140838721
4,6-ditert-butyl-2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]pyrimidine
CID 140838867
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-dimethylpyrimidine
CID 140838837
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-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 140838695
2-[6-[3-bromo-4-[2-(3,5-dimethylphenyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazine;iridium
CID 140838863
CID 161384544
CID 161384544
2,4-bis(4-tert-butylphenyl)-6-[4-[4-(5-phenyl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 67334150
2-benzyl-4-[6-[4-[2-(3,5-dimethylphenyl)phenyl]phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazine
CID 140838537
5-[2-[3,5-bis[2-[6-(4-tert-butylphenyl)-3-pyridinyl]phenyl]-4-methylphenyl]phenyl]-2-(4-tert-butyl-3-methylphenyl)pyridine
CID 139352164
3-[5-[5-(4,6-diethyl-1,3,5-triazin-2-yl)-2-pyridinyl]-2-[2-(3,5-dimethylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 140838884

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)cc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccc(C(C)(C)C)cc5)nc(-c5ccc(C(C)(C)C)cc5)n4)cn3)cc2-c2cc(C)cc(C)c2)c1.
What is the InChIKey of 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?
The InChIKey is SWJUPWTXGQHWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H54N4/c1-35-27-36(2)30-43(29-35)47-13-11-12-14-48(47)49-25-19-41(33-50(49)44-31-37(3)28-38(4)32-44)51-26-20-42(34-57-51)54-59-52(39-15-21-45(22-16-39)55(5,6)7)58-53(60-54)40-17-23-46(24-18-40)56(8,9)10/h11-34H,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 783.08 g/mol, XLogP of 14.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140838472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).