2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine

C54H52N6O2 — CID 170085458

IUPAC2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine
SMILESCCc1ccc(Cc2nc(Cc3ccc(CC)cc3)nc(Cc3ccc(-c4ccc(Oc5nc(Cc6ccc(CC)cc6)nc(Oc6ccc(CC)cc6)n5)cc4)cc3)n2)cc1
InChIInChI=1S/C54H52N6O2/c1-5-37-9-15-41(16-10-37)33-49-55-50(34-42-17-11-38(6-2)12-18-42)57-51(56-49)35-44-21-25-45(26-22-44)46-27-31-48(32-28-46)62-54-59-52(36-43-19-13-39(7-3)14-20-43)58-53(60-54)61-47-29-23-40(8-4)24-30-47/h9-32H,5-8,33-36H2,1-4H3
InChIKeyYIANNMGQRTWVAY-UHFFFAOYSA-N
MW817.05 g/mol
LogP11.92
Rot. Bonds17

About 2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine

2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine (PubChem CID 170085458) has the molecular formula C54H52N6O2 and a molecular weight of 817.05 g/mol. Its IUPAC name is 2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine
PubChem CID170085458
Molecular FormulaC54H52N6O2
Molecular Weight817.05 g/mol
Exact Mass816.42
IUPAC Name2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine
SMILESCCc1ccc(Cc2nc(Cc3ccc(CC)cc3)nc(Cc3ccc(-c4ccc(Oc5nc(Cc6ccc(CC)cc6)nc(Oc6ccc(CC)cc6)n5)cc4)cc3)n2)cc1
InChIInChI=1S/C54H52N6O2/c1-5-37-9-15-41(16-10-37)33-49-55-50(34-42-17-11-38(6-2)12-18-42)57-51(56-49)35-44-21-25-45(26-22-44)46-27-31-48(32-28-46)62-54-59-52(36-43-19-13-39(7-3)14-20-43)58-53(60-54)61-47-29-23-40(8-4)24-30-47/h9-32H,5-8,33-36H2,1-4H3
InChIKeyYIANNMGQRTWVAY-UHFFFAOYSA-N
XLogP11.92
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.05
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine with MolForge

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Related Compounds

2,4-bis(4-phenylphenoxy)-6-[4-[[4-[[4-(4-phenylphenoxy)-6-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-yl]oxy]phenyl]methyl]phenoxy]-1,3,5-triazine
CID 170085657
2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine
CID 169281032
2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine
CID 62859372
2-ethyl-4-methoxy-6-(4-methoxyphenoxy)-1,3,5-triazine
CID 164725212
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62870135
2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine
CID 21413010
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-ethyl-4-(4-propan-2-ylphenoxy)benzene
CID 66612955
2-[4-(4-ethylphenyl)phenoxy]aniline
CID 170400080
4-(4-ethylphenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915253
[4-[4-[4-(4-ethylphenyl)phenyl]phenyl]phenyl]methanethiol
CID 121337523

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine (CID 170085458) is 2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine is CCc1ccc(Cc2nc(Cc3ccc(CC)cc3)nc(Cc3ccc(-c4ccc(Oc5nc(Cc6ccc(CC)cc6)nc(Oc6ccc(CC)cc6)n5)cc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine?
The InChIKey is YIANNMGQRTWVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52N6O2/c1-5-37-9-15-41(16-10-37)33-49-55-50(34-42-17-11-38(6-2)12-18-42)57-51(56-49)35-44-21-25-45(26-22-44)46-27-31-48(32-28-46)62-54-59-52(36-43-19-13-39(7-3)14-20-43)58-53(60-54)61-47-29-23-40(8-4)24-30-47/h9-32H,5-8,33-36H2,1-4H3.
What are the key properties of 2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine?
2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine has a molecular weight of 817.05 g/mol, XLogP of 11.92, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[[4,6-bis[(4-ethylphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]phenoxy]-4-(4-ethylphenoxy)-6-[(4-ethylphenyl)methyl]-1,3,5-triazine is sourced from PubChem (CID 170085458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).