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

C58H38FN3O — CID 168802981

IUPAC2-(6,6-diphenylbenzo[c]chromen-2-yl)-4-(3,5-diphenylphenyl)-6-[4-(4-fluorophenyl)phenyl]-1,3,5-triazine
SMILESFc1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)O5)n3)cc2)cc1
InChIInChI=1S/C58H38FN3O/c59-50-32-29-42(30-33-50)41-25-27-43(28-26-41)55-60-56(62-57(61-55)47-36-45(39-15-5-1-6-16-39)35-46(37-47)40-17-7-2-8-18-40)44-31-34-54-52(38-44)51-23-13-14-24-53(51)58(63-54,48-19-9-3-10-20-48)49-21-11-4-12-22-49/h1-38H
InChIKeyYNXSBGHIHAPOLP-UHFFFAOYSA-N
MW811.96 g/mol
LogP14.36
Rot. Bonds8

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

2-(6,6-diphenylbenzo[c]chromen-2-yl)-4-(3,5-diphenylphenyl)-6-[4-(4-fluorophenyl)phenyl]-1,3,5-triazine (PubChem CID 168802981) has the molecular formula C58H38FN3O and a molecular weight of 811.96 g/mol. Its IUPAC name is 2-(6,6-diphenylbenzo[c]chromen-2-yl)-4-(3,5-diphenylphenyl)-6-[4-(4-fluorophenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(6,6-diphenylbenzo[c]chromen-2-yl)-4-(3,5-diphenylphenyl)-6-[4-(4-fluorophenyl)phenyl]-1,3,5-triazine
PubChem CID168802981
Molecular FormulaC58H38FN3O
Molecular Weight811.96 g/mol
Exact Mass811.30
IUPAC Name2-(6,6-diphenylbenzo[c]chromen-2-yl)-4-(3,5-diphenylphenyl)-6-[4-(4-fluorophenyl)phenyl]-1,3,5-triazine
SMILESFc1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)O5)n3)cc2)cc1
InChIInChI=1S/C58H38FN3O/c59-50-32-29-42(30-33-50)41-25-27-43(28-26-41)55-60-56(62-57(61-55)47-36-45(39-15-5-1-6-16-39)35-46(37-47)40-17-7-2-8-18-40)44-31-34-54-52(38-44)51-23-13-14-24-53(51)58(63-54,48-19-9-3-10-20-48)49-21-11-4-12-22-49/h1-38H
InChIKeyYNXSBGHIHAPOLP-UHFFFAOYSA-N
XLogP14.36
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.96
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-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
2-(9,9-diphenylfluoren-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 162196090
2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 168802805
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
2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307
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-(3,5-diphenylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 153288047
2-(9,9-diphenylfluoren-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 122416353
2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 161043572
2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine
CID 88886282
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-diphenylbenzo[c]chromen-2-yl)-4-(3,5-diphenylphenyl)-6-[4-(4-fluorophenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(6,6-diphenylbenzo[c]chromen-2-yl)-4-(3,5-diphenylphenyl)-6-[4-(4-fluorophenyl)phenyl]-1,3,5-triazine (CID 168802981) is 2-(6,6-diphenylbenzo[c]chromen-2-yl)-4-(3,5-diphenylphenyl)-6-[4-(4-fluorophenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(6,6-diphenylbenzo[c]chromen-2-yl)-4-(3,5-diphenylphenyl)-6-[4-(4-fluorophenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(6,6-diphenylbenzo[c]chromen-2-yl)-4-(3,5-diphenylphenyl)-6-[4-(4-fluorophenyl)phenyl]-1,3,5-triazine is Fc1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)O5)n3)cc2)cc1.
What is the InChIKey of 2-(6,6-diphenylbenzo[c]chromen-2-yl)-4-(3,5-diphenylphenyl)-6-[4-(4-fluorophenyl)phenyl]-1,3,5-triazine?
The InChIKey is YNXSBGHIHAPOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38FN3O/c59-50-32-29-42(30-33-50)41-25-27-43(28-26-41)55-60-56(62-57(61-55)47-36-45(39-15-5-1-6-16-39)35-46(37-47)40-17-7-2-8-18-40)44-31-34-54-52(38-44)51-23-13-14-24-53(51)58(63-54,48-19-9-3-10-20-48)49-21-11-4-12-22-49/h1-38H.
What are the key properties of 2-(6,6-diphenylbenzo[c]chromen-2-yl)-4-(3,5-diphenylphenyl)-6-[4-(4-fluorophenyl)phenyl]-1,3,5-triazine?
2-(6,6-diphenylbenzo[c]chromen-2-yl)-4-(3,5-diphenylphenyl)-6-[4-(4-fluorophenyl)phenyl]-1,3,5-triazine has a molecular weight of 811.96 g/mol, XLogP of 14.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-diphenylbenzo[c]chromen-2-yl)-4-(3,5-diphenylphenyl)-6-[4-(4-fluorophenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 168802981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).