2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine

C44H29N3O — CID 170927310

IUPAC2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4oc5cccc(Cc6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)c5c4c3)cc2)cc1
InChIInChI=1S/C44H29N3O/c1-3-11-29(12-4-1)30-21-23-31(24-22-30)34-25-26-39-38(27-34)42-35(17-10-20-40(42)48-39)28-41-45-43(33-14-5-2-6-15-33)47-44(46-41)37-19-9-16-32-13-7-8-18-36(32)37/h1-27H,28H2
InChIKeyUOXQTLKGHXFKIA-UHFFFAOYSA-N
MW615.74 g/mol
LogP11.18
Rot. Bonds6

About 2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine

2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine (PubChem CID 170927310) has the molecular formula C44H29N3O and a molecular weight of 615.74 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
PubChem CID170927310
Molecular FormulaC44H29N3O
Molecular Weight615.74 g/mol
Exact Mass615.23
IUPAC Name2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4oc5cccc(Cc6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)c5c4c3)cc2)cc1
InChIInChI=1S/C44H29N3O/c1-3-11-29(12-4-1)30-21-23-31(24-22-30)34-25-26-39-38(27-34)42-35(17-10-20-40(42)48-39)28-41-45-43(33-14-5-2-6-15-33)47-44(46-41)37-19-9-16-32-13-7-8-18-36(32)37/h1-27H,28H2
InChIKeyUOXQTLKGHXFKIA-UHFFFAOYSA-N
XLogP11.18
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
CID 170927151
2-[(8-phenanthren-2-yldibenzofuran-1-yl)methyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170927190
2-phenanthren-3-yl-4-phenyl-6-[[8-(2-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine
CID 170927343
2-naphthalen-2-yl-4-[(8-phenanthren-2-yldibenzofuran-1-yl)methyl]-6-phenyl-1,3,5-triazine
CID 170927092
2-naphthalen-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616943
2-[(8-fluoranthen-3-yldibenzofuran-1-yl)methyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 170926440
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742908
2-(8-naphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166741458
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine (CID 170927310) is 2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc4oc5cccc(Cc6nc(-c7ccccc7)nc(-c7cccc8ccccc78)n6)c5c4c3)cc2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine?
The InChIKey is UOXQTLKGHXFKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O/c1-3-11-29(12-4-1)30-21-23-31(24-22-30)34-25-26-39-38(27-34)42-35(17-10-20-40(42)48-39)28-41-45-43(33-14-5-2-6-15-33)47-44(46-41)37-19-9-16-32-13-7-8-18-36(32)37/h1-27H,28H2.
What are the key properties of 2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine?
2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine has a molecular weight of 615.74 g/mol, XLogP of 11.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-phenyl-6-[[8-(4-phenylphenyl)dibenzofuran-1-yl]methyl]-1,3,5-triazine is sourced from PubChem (CID 170927310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).