2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine

C49H31N3O — CID 176755150

IUPAC2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3c4ccccc4cc4c3oc3c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cccc34)cc2)cc1
InChIInChI=1S/C49H31N3O/c1-4-13-32(14-5-1)33-23-27-35(28-24-33)44-40-20-11-10-19-39(40)31-43-42-22-12-21-41(45(42)53-46(43)44)34-25-29-38(30-26-34)49-51-47(36-15-6-2-7-16-36)50-48(52-49)37-17-8-3-9-18-37/h1-31H
InChIKeyKXHXBDDSMKDQOL-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.93
Rot. Bonds6

About 2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine (PubChem CID 176755150) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine
PubChem CID176755150
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3c4ccccc4cc4c3oc3c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cccc34)cc2)cc1
InChIInChI=1S/C49H31N3O/c1-4-13-32(14-5-1)33-23-27-35(28-24-33)44-40-20-11-10-19-39(40)31-43-42-22-12-21-41(45(42)53-46(43)44)34-25-29-38(30-26-34)49-51-47(36-15-6-2-7-16-36)50-48(52-49)37-17-8-3-9-18-37/h1-31H
InChIKeyKXHXBDDSMKDQOL-UHFFFAOYSA-N
XLogP12.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170213535
2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170212090
2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170213625
2-(6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 170213532
2-(6-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 170213533
2,4-diphenyl-6-[4-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834775
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170213573
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817768
2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922
2-phenyl-4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170213085

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine (CID 176755150) is 2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3c4ccccc4cc4c3oc3c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)cccc34)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine?
The InChIKey is KXHXBDDSMKDQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-4-13-32(14-5-1)33-23-27-35(28-24-33)44-40-20-11-10-19-39(40)31-43-42-22-12-21-41(45(42)53-46(43)44)34-25-29-38(30-26-34)49-51-47(36-15-6-2-7-16-36)50-48(52-49)37-17-8-3-9-18-37/h1-31H.
What are the key properties of 2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine has a molecular weight of 677.81 g/mol, XLogP of 12.93, 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-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 176755150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).