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

C54H34FN3O — CID 168802805

IUPAC2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
SMILESFc1cc(-c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C54H34FN3O/c55-42-32-38(37-29-30-46-45-25-11-12-28-49(45)54(59-50(46)34-37,40-19-3-1-4-20-40)41-21-5-2-6-22-41)31-39(33-42)51-56-52(47-26-13-17-35-15-7-9-23-43(35)47)58-53(57-51)48-27-14-18-36-16-8-10-24-44(36)48/h1-34H
InChIKeyWIKKVSCNKPTDIP-UHFFFAOYSA-N
MW759.88 g/mol
LogP13.34
Rot. Bonds6

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

2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine (PubChem CID 168802805) has the molecular formula C54H34FN3O and a molecular weight of 759.88 g/mol. Its IUPAC name is 2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
PubChem CID168802805
Molecular FormulaC54H34FN3O
Molecular Weight759.88 g/mol
Exact Mass759.27
IUPAC Name2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
SMILESFc1cc(-c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C54H34FN3O/c55-42-32-38(37-29-30-46-45-25-11-12-28-49(45)54(59-50(46)34-37,40-19-3-1-4-20-40)41-21-5-2-6-22-41)31-39(33-42)51-56-52(47-26-13-17-35-15-7-9-23-43(35)47)58-53(57-51)48-27-14-18-36-16-8-10-24-44(36)48/h1-34H
InChIKeyWIKKVSCNKPTDIP-UHFFFAOYSA-N
XLogP13.34
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.88
LogP ≤ 513.34
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-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4-[3-(4-isocyanophenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 168802632
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-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168803032
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-(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-[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-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 122416420
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
8-naphthalen-1-yl-N,N,6,6-tetraphenylbenzo[c]chromen-3-amine
CID 167340421
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The IUPAC name of 2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine (CID 168802805) is 2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The canonical SMILES for 2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine is Fc1cc(-c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c1.
What is the InChIKey of 2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The InChIKey is WIKKVSCNKPTDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34FN3O/c55-42-32-38(37-29-30-46-45-25-11-12-28-49(45)54(59-50(46)34-37,40-19-3-1-4-20-40)41-21-5-2-6-22-41)31-39(33-42)51-56-52(47-26-13-17-35-15-7-9-23-43(35)47)58-53(57-51)48-27-14-18-36-16-8-10-24-44(36)48/h1-34H.
What are the key properties of 2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?
2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine has a molecular weight of 759.88 g/mol, XLogP of 13.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,6-diphenylbenzo[c]chromen-3-yl)-5-fluorophenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine is sourced from PubChem (CID 168802805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).