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

C49H33N3O — CID 167113778

IUPAC2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine
SMILESC1=CC(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)CC=C1c1cccc2oc3c4ccccc4c(-c4ccccc4)cc3c12
InChIInChI=1S/C49H33N3O/c1-4-13-34(14-5-1)42-31-43-45-39(21-12-22-44(45)53-46(43)41-20-11-10-19-40(41)42)35-27-23-32(24-28-35)33-25-29-38(30-26-33)49-51-47(36-15-6-2-7-16-36)50-48(52-49)37-17-8-3-9-18-37/h1-23,25-32H,24H2
InChIKeyWFDFKVICNKYBKL-UHFFFAOYSA-N
MW679.82 g/mol
LogP12.72
Rot. Bonds6

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

2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine (PubChem CID 167113778) has the molecular formula C49H33N3O and a molecular weight of 679.82 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine
PubChem CID167113778
Molecular FormulaC49H33N3O
Molecular Weight679.82 g/mol
Exact Mass679.26
IUPAC Name2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine
SMILESC1=CC(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)CC=C1c1cccc2oc3c4ccccc4c(-c4ccccc4)cc3c12
InChIInChI=1S/C49H33N3O/c1-4-13-34(14-5-1)42-31-43-45-39(21-12-22-44(45)53-46(43)41-20-11-10-19-40(41)42)35-27-23-32(24-28-35)33-25-29-38(30-26-33)49-51-47(36-15-6-2-7-16-36)50-48(52-49)37-17-8-3-9-18-37/h1-23,25-32H,24H2
InChIKeyWFDFKVICNKYBKL-UHFFFAOYSA-N
XLogP12.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
CID 167008238
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 177112927
2-[4-[5-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818532
2-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164835046
2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818745
2-dibenzofuran-2-yl-4-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176818485
2,4-diphenyl-6-[4-[4-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834896
2-[4-(7-dibenzofuran-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176818272
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167008068
2-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511
2,4-diphenyl-6-[4-[4-(7-pyridin-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164835177
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 167556032

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine (CID 167113778) is 2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine is C1=CC(c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)CC=C1c1cccc2oc3c4ccccc4c(-c4ccccc4)cc3c12.
What is the InChIKey of 2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine?
The InChIKey is WFDFKVICNKYBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O/c1-4-13-34(14-5-1)42-31-43-45-39(21-12-22-44(45)53-46(43)41-20-11-10-19-40(41)42)35-27-23-32(24-28-35)33-25-29-38(30-26-33)49-51-47(36-15-6-2-7-16-36)50-48(52-49)37-17-8-3-9-18-37/h1-23,25-32H,24H2.
What are the key properties of 2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine has a molecular weight of 679.82 g/mol, XLogP of 12.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 167113778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).