2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine

C46H36N6O3 — CID 20652055

IUPAC2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
SMILESCOc1cccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6cccc(OC)c6)nc(-c6cccc(OC)c6)n5)cc4)cc3)nc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C46H36N6O3/c1-29-9-5-10-34(25-29)43-47-41(48-44(51-43)35-11-6-14-38(26-35)53-2)32-21-17-30(18-22-32)31-19-23-33(24-20-31)42-49-45(36-12-7-15-39(27-36)54-3)52-46(50-42)37-13-8-16-40(28-37)55-4/h5-28H,1-4H3
InChIKeyRWRUAPAKFWWRSM-UHFFFAOYSA-N
MW720.83 g/mol
LogP10.06
Rot. Bonds10

About 2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine

2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 20652055) has the molecular formula C46H36N6O3 and a molecular weight of 720.83 g/mol. Its IUPAC name is 2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
PubChem CID20652055
Molecular FormulaC46H36N6O3
Molecular Weight720.83 g/mol
Exact Mass720.28
IUPAC Name2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
SMILESCOc1cccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6cccc(OC)c6)nc(-c6cccc(OC)c6)n5)cc4)cc3)nc(-c3cccc(C)c3)n2)c1
InChIInChI=1S/C46H36N6O3/c1-29-9-5-10-34(25-29)43-47-41(48-44(51-43)35-11-6-14-38(26-35)53-2)32-21-17-30(18-22-32)31-19-23-33(24-20-31)42-49-45(36-12-7-15-39(27-36)54-3)52-46(50-42)37-13-8-16-40(28-37)55-4/h5-28H,1-4H3
InChIKeyRWRUAPAKFWWRSM-UHFFFAOYSA-N
XLogP10.06
TPSA105.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.83
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
2-[3-(3-methylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129263613
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162112872
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
5-methoxy-2-(3-methylphenyl)pyrimidine
CID 91581567
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
2-(3-methoxyphenyl)-7-methylquinazolin-4-amine
CID 71193032

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine (CID 20652055) is 2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine is COc1cccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6cccc(OC)c6)nc(-c6cccc(OC)c6)n5)cc4)cc3)nc(-c3cccc(C)c3)n2)c1.
What is the InChIKey of 2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine?
The InChIKey is RWRUAPAKFWWRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N6O3/c1-29-9-5-10-34(25-29)43-47-41(48-44(51-43)35-11-6-14-38(26-35)53-2)32-21-17-30(18-22-32)31-19-23-33(24-20-31)42-49-45(36-12-7-15-39(27-36)54-3)52-46(50-42)37-13-8-16-40(28-37)55-4/h5-28H,1-4H3.
What are the key properties of 2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine?
2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 720.83 g/mol, XLogP of 10.06, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 20652055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).