2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine

C61H41N3O — CID 174304257

IUPAC2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
SMILESC1=CC(c2cccc3ccc4c(oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8)cc7)n6)c54)c23)=CCC1
InChIInChI=1S/C61H41N3O/c1-6-18-41(19-7-1)49-29-16-28-45-36-37-50-57-51(30-17-31-54(57)65-58(50)56(45)49)61-63-59(46-26-14-5-15-27-46)62-60(64-61)47-34-32-40(33-35-47)48-38-52(42-20-8-2-9-21-42)55(44-24-12-4-13-25-44)53(39-48)43-22-10-3-11-23-43/h2-6,8-39H,1,7H2
InChIKeyQSQUVUUKXDGTRB-UHFFFAOYSA-N
MW832.02 g/mol
LogP16.33
Rot. Bonds8

About 2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine

2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 174304257) has the molecular formula C61H41N3O and a molecular weight of 832.02 g/mol. Its IUPAC name is 2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
PubChem CID174304257
Molecular FormulaC61H41N3O
Molecular Weight832.02 g/mol
Exact Mass831.32
IUPAC Name2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
SMILESC1=CC(c2cccc3ccc4c(oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8)cc7)n6)c54)c23)=CCC1
InChIInChI=1S/C61H41N3O/c1-6-18-41(19-7-1)49-29-16-28-45-36-37-50-57-51(30-17-31-54(57)65-58(50)56(45)49)61-63-59(46-26-14-5-15-27-46)62-60(64-61)47-34-32-40(33-35-47)48-38-52(42-20-8-2-9-21-42)55(44-24-12-4-13-25-44)53(39-48)43-22-10-3-11-23-43/h2-6,8-39H,1,7H2
InChIKeyQSQUVUUKXDGTRB-UHFFFAOYSA-N
XLogP16.33
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.02
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199069
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-[6-[(5-phenylphenanthren-9-yl)methyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166988226
2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 170144747
2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 145448035
2-[6-(8-cyclohexa-1,5-dien-1-yldibenzothiophen-1-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166744472
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 177078939
2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155155981
2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 147117573
2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198548
2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167181703
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-naphtho[2,3-b][1]benzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 167008587
9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 166988116

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine (CID 174304257) is 2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine is C1=CC(c2cccc3ccc4c(oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccc(-c8cc(-c9ccccc9)c(-c9ccccc9)c(-c9ccccc9)c8)cc7)n6)c54)c23)=CCC1.
What is the InChIKey of 2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is QSQUVUUKXDGTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3O/c1-6-18-41(19-7-1)49-29-16-28-45-36-37-50-57-51(30-17-31-54(57)65-58(50)56(45)49)61-63-59(46-26-14-5-15-27-46)62-60(64-61)47-34-32-40(33-35-47)48-38-52(42-20-8-2-9-21-42)55(44-24-12-4-13-25-44)53(39-48)43-22-10-3-11-23-43/h2-6,8-39H,1,7H2.
What are the key properties of 2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine?
2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 832.02 g/mol, XLogP of 16.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexa-1,5-dien-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 174304257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).