bis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone

C55H36N6O — CID 118516495

IUPACbis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone
SMILESO=C(c1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1)c1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C55H36N6O/c62-49(47-33-15-13-31-45(47)41-27-17-29-43(35-41)54-58-50(37-19-5-1-6-20-37)56-51(59-54)38-21-7-2-8-22-38)48-34-16-14-32-46(48)42-28-18-30-44(36-42)55-60-52(39-23-9-3-10-24-39)57-53(61-55)40-25-11-4-12-26-40/h1-36H
InChIKeyWVMKIEBKDUPBSM-UHFFFAOYSA-N
MW796.93 g/mol
LogP12.62
Rot. Bonds10

About bis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone

bis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone (PubChem CID 118516495) has the molecular formula C55H36N6O and a molecular weight of 796.93 g/mol. Its IUPAC name is bis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone.

Molecular Properties

Compound Namebis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone
PubChem CID118516495
Molecular FormulaC55H36N6O
Molecular Weight796.93 g/mol
Exact Mass796.30
IUPAC Namebis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone
SMILESO=C(c1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1)c1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C55H36N6O/c62-49(47-33-15-13-31-45(47)41-27-17-29-43(35-41)54-58-50(37-19-5-1-6-20-37)56-51(59-54)38-21-7-2-8-22-38)48-34-16-14-32-46(48)42-28-18-30-44(36-42)55-60-52(39-23-9-3-10-24-39)57-53(61-55)40-25-11-4-12-26-40/h1-36H
InChIKeyWVMKIEBKDUPBSM-UHFFFAOYSA-N
XLogP12.62
TPSA94.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.93
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 157451002
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669
2-[3-[2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167216324
2-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 165007118
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 159286796
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 159629577
[2-(3-chlorophenyl)phenyl]-phenylmethanone
CID 174644263
2,4-diphenyl-6-[4-[3-[6-phenyl-2-[3-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-[6-phenyl-2-[4-(2-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163852198

Frequently Asked Questions

What is the IUPAC name of bis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone?
The IUPAC name of bis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone (CID 118516495) is bis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone.
What is the SMILES notation for bis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone?
The canonical SMILES for bis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone is O=C(c1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1)c1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of bis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone?
The InChIKey is WVMKIEBKDUPBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N6O/c62-49(47-33-15-13-31-45(47)41-27-17-29-43(35-41)54-58-50(37-19-5-1-6-20-37)56-51(59-54)38-21-7-2-8-22-38)48-34-16-14-32-46(48)42-28-18-30-44(36-42)55-60-52(39-23-9-3-10-24-39)57-53(61-55)40-25-11-4-12-26-40/h1-36H.
What are the key properties of bis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone?
bis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone has a molecular weight of 796.93 g/mol, XLogP of 12.62, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]methanone is sourced from PubChem (CID 118516495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).