2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine

C49H31N3O — CID 135233850

IUPAC2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cccc(-c7ccc(-c8ccccc8)c8ccccc78)c6c5c4)n3)c2)cc1
InChIInChI=1S/C49H31N3O/c1-4-14-32(15-5-1)35-20-12-21-36(30-35)48-50-47(34-18-8-3-9-19-34)51-49(52-48)37-26-29-44-43(31-37)46-42(24-13-25-45(46)53-44)41-28-27-38(33-16-6-2-7-17-33)39-22-10-11-23-40(39)41/h1-31H
InChIKeyGMAQGODJNBDIGG-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.93
Rot. Bonds6

About 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine

2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 135233850) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID135233850
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cccc(-c7ccc(-c8ccccc8)c8ccccc78)c6c5c4)n3)c2)cc1
InChIInChI=1S/C49H31N3O/c1-4-14-32(15-5-1)35-20-12-21-36(30-35)48-50-47(34-18-8-3-9-19-34)51-49(52-48)37-26-29-44-43(31-37)46-42(24-13-25-45(46)53-44)41-28-27-38(33-16-6-2-7-17-33)39-22-10-11-23-40(39)41/h1-31H
InChIKeyGMAQGODJNBDIGG-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-phenyl-4-(3-phenylphenyl)-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952469
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
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
2,4-diphenyl-6-[2-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 161265664
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515
2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 161271713
2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946169
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 135233850) is 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5oc6cccc(-c7ccc(-c8ccccc8)c8ccccc78)c6c5c4)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is GMAQGODJNBDIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-4-14-32(15-5-1)35-20-12-21-36(30-35)48-50-47(34-18-8-3-9-19-34)51-49(52-48)37-26-29-44-43(31-37)46-42(24-13-25-45(46)53-44)41-28-27-38(33-16-6-2-7-17-33)39-22-10-11-23-40(39)41/h1-31H.
What are the key properties of 2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-phenyl-4-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-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-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 135233850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).