2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine

C49H31N3O — CID 162712574

IUPAC2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4c5ccccc5c(-c5ccccc5)c5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C49H31N3O/c1-4-17-32(18-5-1)35-23-16-24-36(31-35)37-25-10-13-28-40(37)48-50-47(34-21-8-3-9-22-34)51-49(52-48)45-39-27-12-11-26-38(39)43(33-19-6-2-7-20-33)46-44(45)41-29-14-15-30-42(41)53-46/h1-31H
InChIKeyVLPGMEBSIQSCFV-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.93
Rot. Bonds6

About 2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine

2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 162712574) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID162712574
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4c5ccccc5c(-c5ccccc5)c5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C49H31N3O/c1-4-17-32(18-5-1)35-23-16-24-36(31-35)37-25-10-13-28-40(37)48-50-47(34-21-8-3-9-22-34)51-49(52-48)45-39-27-12-11-26-38(39)43(33-19-6-2-7-20-33)46-44(45)41-29-14-15-30-42(41)53-46/h1-31H
InChIKeyVLPGMEBSIQSCFV-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

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Related Compounds

2,4-diphenyl-6-[8-(6-phenylnaphtho[3,2-b][1]benzothiol-11-yl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163963336
2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164942447
2-(6-chloronaphtho[1,2-b][1]benzofuran-5-yl)-4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 167347840
2-dibenzofuran-4-yl-4-[4-[10-[5-[3-[4-[4-dibenzofuran-4-yl-6-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]naphthalen-1-yl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481043
2-[3-(2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164723701
2-[4-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 161320517
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942372
2-dibenzofuran-4-yl-4-[2-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[2-(10-phenylanthracen-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-(10-phenylanthracen-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-4-yl-4-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 158189560
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808572
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808582

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine (CID 162712574) is 2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4c5ccccc5c(-c5ccccc5)c5oc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is VLPGMEBSIQSCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-4-17-32(18-5-1)35-23-16-24-36(31-35)37-25-10-13-28-40(37)48-50-47(34-21-8-3-9-22-34)51-49(52-48)45-39-27-12-11-26-38(39)43(33-19-6-2-7-20-33)46-44(45)41-29-14-15-30-42(41)53-46/h1-31H.
What are the key properties of 2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine?
2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)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-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 162712574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).