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

C55H35N3O — CID 140946220

IUPAC2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7cccc8c(-c9cccc(-c%10ccccc%10)c9)cccc78)cc6c45)n3)c2)cc1
InChIInChI=1S/C55H35N3O/c1-4-15-36(16-5-1)39-21-10-23-41(33-39)44-25-12-28-47-45(26-13-27-46(44)47)42-31-32-50-49(35-42)52-48(29-14-30-51(52)59-50)55-57-53(38-19-8-3-9-20-38)56-54(58-55)43-24-11-22-40(34-43)37-17-6-2-7-18-37/h1-35H
InChIKeyISEJIUQGFICNRZ-UHFFFAOYSA-N
MW753.91 g/mol
LogP14.59
Rot. Bonds7

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

2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 140946220) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID140946220
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC Name2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7cccc8c(-c9cccc(-c%10ccccc%10)c9)cccc78)cc6c45)n3)c2)cc1
InChIInChI=1S/C55H35N3O/c1-4-15-36(16-5-1)39-21-10-23-41(33-39)44-25-12-28-47-45(26-13-27-46(44)47)42-31-32-50-49(35-42)52-48(29-14-30-51(52)59-50)55-57-53(38-19-8-3-9-20-38)56-54(58-55)43-24-11-22-40(34-43)37-17-6-2-7-18-37/h1-35H
InChIKeyISEJIUQGFICNRZ-UHFFFAOYSA-N
XLogP14.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.91
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
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-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946169
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-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163478028
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2-dibenzofuran-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837471
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine (CID 140946220) is 2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7cccc8c(-c9cccc(-c%10ccccc%10)c9)cccc78)cc6c45)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is ISEJIUQGFICNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c1-4-15-36(16-5-1)39-21-10-23-41(33-39)44-25-12-28-47-45(26-13-27-46(44)47)42-31-32-50-49(35-42)52-48(29-14-30-51(52)59-50)55-57-53(38-19-8-3-9-20-38)56-54(58-55)43-24-11-22-40(34-43)37-17-6-2-7-18-37/h1-35H.
What are the key properties of 2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine?
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 753.91 g/mol, XLogP of 14.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 140946220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).