2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine

C51H34F2N6O — CID 168802767

IUPAC2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)Oc2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(F)cc5)n4)cc(-c4nc(-c5ccccc5)nc(-c5ccc(F)cc5)n4)c3)ccc2-c2ccccc21
InChIInChI=1S/C51H34F2N6O/c1-51(2)43-16-10-9-15-41(43)42-26-21-35(30-44(42)60-51)36-27-37(49-56-45(31-11-5-3-6-12-31)54-47(58-49)33-17-22-39(52)23-18-33)29-38(28-36)50-57-46(32-13-7-4-8-14-32)55-48(59-50)34-19-24-40(53)25-20-34/h3-30H,1-2H3
InChIKeyVBZIJIBUXMVKQI-UHFFFAOYSA-N
MW784.87 g/mol
LogP12.30
Rot. Bonds7

About 2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine

2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine (PubChem CID 168802767) has the molecular formula C51H34F2N6O and a molecular weight of 784.87 g/mol. Its IUPAC name is 2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine
PubChem CID168802767
Molecular FormulaC51H34F2N6O
Molecular Weight784.87 g/mol
Exact Mass784.28
IUPAC Name2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)Oc2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(F)cc5)n4)cc(-c4nc(-c5ccccc5)nc(-c5ccc(F)cc5)n4)c3)ccc2-c2ccccc21
InChIInChI=1S/C51H34F2N6O/c1-51(2)43-16-10-9-15-41(43)42-26-21-35(30-44(42)60-51)36-27-37(49-56-45(31-11-5-3-6-12-31)54-47(58-49)33-17-22-39(52)23-18-33)29-38(28-36)50-57-46(32-13-7-4-8-14-32)55-48(59-50)34-19-24-40(53)25-20-34/h3-30H,1-2H3
InChIKeyVBZIJIBUXMVKQI-UHFFFAOYSA-N
XLogP12.30
TPSA86.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.87
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(6,6-dimethylbenzo[c]chromen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 168802683
4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 168802826
2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168802872
2-[3-[4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168803081
2-[2-(6,6-dimethylbenzo[c]chromen-3-yl)-5-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168803005
2-(6,6-diphenylbenzo[c]chromen-2-yl)-4-(3,5-diphenylphenyl)-6-[4-(4-fluorophenyl)phenyl]-1,3,5-triazine
CID 168802981
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 126609528
4-[3-[4-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170187918
2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 168802805
2-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenoxathiin-3-yl-6-phenyl-1,3,5-triazine
CID 168802957
2-(6,6-dimethylbenzo[c]chromen-4-yl)-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine
CID 168802688
2-[3-(9,9-dimethylfluoren-2-yl)-5-methylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 145334226

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine (CID 168802767) is 2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine is CC1(C)Oc2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(F)cc5)n4)cc(-c4nc(-c5ccccc5)nc(-c5ccc(F)cc5)n4)c3)ccc2-c2ccccc21.
What is the InChIKey of 2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is VBZIJIBUXMVKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34F2N6O/c1-51(2)43-16-10-9-15-41(43)42-26-21-35(30-44(42)60-51)36-27-37(49-56-45(31-11-5-3-6-12-31)54-47(58-49)33-17-22-39(52)23-18-33)29-38(28-36)50-57-46(32-13-7-4-8-14-32)55-48(59-50)34-19-24-40(53)25-20-34/h3-30H,1-2H3.
What are the key properties of 2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine?
2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 784.87 g/mol, XLogP of 12.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 168802767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).