2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine

C59H51N3 — CID 177074405

IUPAC2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(C)c(C(c2cccc(C(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C59H51N3/c1-38-30-40(3)53(41(4)31-38)56(54-42(5)32-39(2)33-43(54)6)49-29-19-28-48(34-49)55(52-36-50(44-20-11-7-12-21-44)35-51(37-52)45-22-13-8-14-23-45)59-61-57(46-24-15-9-16-25-46)60-58(62-59)47-26-17-10-18-27-47/h7-37,55-56H,1-6H3
InChIKeyOTXWUYDBERPCRC-UHFFFAOYSA-N
MW802.08 g/mol
LogP14.75
Rot. Bonds10

About 2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine

2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 177074405) has the molecular formula C59H51N3 and a molecular weight of 802.08 g/mol. Its IUPAC name is 2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID177074405
Molecular FormulaC59H51N3
Molecular Weight802.08 g/mol
Exact Mass801.41
IUPAC Name2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc(C)c(C(c2cccc(C(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C59H51N3/c1-38-30-40(3)53(41(4)31-38)56(54-42(5)32-39(2)33-43(54)6)49-29-19-28-48(34-49)55(52-36-50(44-20-11-7-12-21-44)35-51(37-52)45-22-13-8-14-23-45)59-61-57(46-24-15-9-16-25-46)60-58(62-59)47-26-17-10-18-27-47/h7-37,55-56H,1-6H3
InChIKeyOTXWUYDBERPCRC-UHFFFAOYSA-N
XLogP14.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.08
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4,6-diphenyl-N-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-1,3,5-triazin-2-amine
CID 177073755
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-(3,5-diphenylphenyl)-N-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-amine
CID 177074300
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine
CID 177073961
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-amine
CID 177073958
N-[3-[bis(2,4,6-trimethylphenyl)methyl]-2,4,6-trimethylphenyl]-4-(3,5-diphenylphenyl)-N,6-diphenyl-1,3,5-triazin-2-amine
CID 177073778
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine
CID 177074332
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311586
2,4-diphenyl-6-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606672
4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159273767
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine (CID 177074405) is 2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine is Cc1cc(C)c(C(c2cccc(C(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is OTXWUYDBERPCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H51N3/c1-38-30-40(3)53(41(4)31-38)56(54-42(5)32-39(2)33-43(54)6)49-29-19-28-48(34-49)55(52-36-50(44-20-11-7-12-21-44)35-51(37-52)45-22-13-8-14-23-45)59-61-57(46-24-15-9-16-25-46)60-58(62-59)47-26-17-10-18-27-47/h7-37,55-56H,1-6H3.
What are the key properties of 2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine?
2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 802.08 g/mol, XLogP of 14.75, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-(3,5-diphenylphenyl)methyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 177074405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).