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

C68H48N6O5 — CID 170085657

IUPAC2,4-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
SMILESc1ccc(-c2ccc(Cc3nc(Oc4ccc(Cc5ccc(Oc6nc(Oc7ccc(-c8ccccc8)cc7)nc(Oc7ccc(-c8ccccc8)cc7)n6)cc5)cc4)nc(Oc4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C68H48N6O5/c1-5-13-50(14-6-1)54-27-21-49(22-28-54)46-63-69-64(71-65(70-63)76-60-39-29-55(30-40-60)51-15-7-2-8-16-51)75-58-35-23-47(24-36-58)45-48-25-37-59(38-26-48)77-66-72-67(78-61-41-31-56(32-42-61)52-17-9-3-10-18-52)74-68(73-66)79-62-43-33-57(34-44-62)53-19-11-4-12-20-53/h1-44H,45-46H2
InChIKeyPZQREXJPALYDIC-UHFFFAOYSA-N
MW1029.17 g/mol
LogP16.87
Rot. Bonds18

About 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

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 (PubChem CID 170085657) has the molecular formula C68H48N6O5 and a molecular weight of 1029.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID170085657
Molecular FormulaC68H48N6O5
Molecular Weight1029.17 g/mol
Exact Mass1028.37
IUPAC Name2,4-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
SMILESc1ccc(-c2ccc(Cc3nc(Oc4ccc(Cc5ccc(Oc6nc(Oc7ccc(-c8ccccc8)cc7)nc(Oc7ccc(-c8ccccc8)cc7)n6)cc5)cc4)nc(Oc4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C68H48N6O5/c1-5-13-50(14-6-1)54-27-21-49(22-28-54)46-63-69-64(71-65(70-63)76-60-39-29-55(30-40-60)51-15-7-2-8-16-51)75-58-35-23-47(24-36-58)45-48-25-37-59(38-26-48)77-66-72-67(78-61-41-31-56(32-42-61)52-17-9-3-10-18-52)74-68(73-66)79-62-43-33-57(34-44-62)53-19-11-4-12-20-53/h1-44H,45-46H2
InChIKeyPZQREXJPALYDIC-UHFFFAOYSA-N
XLogP16.87
TPSA123.49 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001029.17
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(Cc3nc(Oc4ccc(Cc5ccc(Oc6nc(Oc7ccc(-c8ccccc8)cc7)nc(Oc7ccc(-c8ccccc8)cc7)n6)cc5)cc4)nc(Oc4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is PZQREXJPALYDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N6O5/c1-5-13-50(14-6-1)54-27-21-49(22-28-54)46-63-69-64(71-65(70-63)76-60-39-29-55(30-40-60)51-15-7-2-8-16-51)75-58-35-23-47(24-36-58)45-48-25-37-59(38-26-48)77-66-72-67(78-61-41-31-56(32-42-61)52-17-9-3-10-18-52)74-68(73-66)79-62-43-33-57(34-44-62)53-19-11-4-12-20-53/h1-44H,45-46H2.
What are the key properties of 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?
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 has a molecular weight of 1029.17 g/mol, XLogP of 16.87, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170085657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).