2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C53H36FN3O — CID 168802872

IUPAC2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(c2ccccc2)Oc2cc(-c3ccc(-c4cc(F)cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)cc3)ccc2-c2ccccc21
InChIInChI=1S/C53H36FN3O/c1-53(44-17-9-4-10-18-44)48-20-12-11-19-46(48)47-30-29-41(34-49(47)58-53)35-21-23-36(24-22-35)42-31-43(33-45(54)32-42)37-25-27-40(28-26-37)52-56-50(38-13-5-2-6-14-38)55-51(57-52)39-15-7-3-8-16-39/h2-34H,1H3
InChIKeyRTVYWJVUEJNYJI-UHFFFAOYSA-N
MW749.89 g/mol
LogP13.34
Rot. Bonds7

About 2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 168802872) has the molecular formula C53H36FN3O and a molecular weight of 749.89 g/mol. Its IUPAC name is 2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID168802872
Molecular FormulaC53H36FN3O
Molecular Weight749.89 g/mol
Exact Mass749.28
IUPAC Name2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(c2ccccc2)Oc2cc(-c3ccc(-c4cc(F)cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)cc3)ccc2-c2ccccc21
InChIInChI=1S/C53H36FN3O/c1-53(44-17-9-4-10-18-44)48-20-12-11-19-46(48)47-30-29-41(34-49(47)58-53)35-21-23-36(24-22-35)42-31-43(33-45(54)32-42)37-25-27-40(28-26-37)52-56-50(38-13-5-2-6-14-38)55-51(57-52)39-15-7-3-8-16-39/h2-34H,1H3
InChIKeyRTVYWJVUEJNYJI-UHFFFAOYSA-N
XLogP13.34
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.89
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168803032
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
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-(6,6-dimethylbenzo[c]chromen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 168802683
2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4-[3-(4-isocyanophenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 168802632
4-[4-(6,6-dimethylbenzo[c]chromen-3-yl)-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-yl]benzonitrile
CID 168802826
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-(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
2-[7-(3,5-diphenylphenyl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170441832
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 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) is 2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(c2ccccc2)Oc2cc(-c3ccc(-c4cc(F)cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4)cc3)ccc2-c2ccccc21.
What is the InChIKey of 2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is RTVYWJVUEJNYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36FN3O/c1-53(44-17-9-4-10-18-44)48-20-12-11-19-46(48)47-30-29-41(34-49(47)58-53)35-21-23-36(24-22-35)42-31-43(33-45(54)32-42)37-25-27-40(28-26-37)52-56-50(38-13-5-2-6-14-38)55-51(57-52)39-15-7-3-8-16-39/h2-34H,1H3.
What are the key properties of 2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 749.89 g/mol, XLogP of 13.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-fluoro-5-[4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 168802872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).