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

C57H35N3O2 — CID 163478028

IUPAC2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3oc4cccc(-c5nc(-c6cccc(-c7ccccc7-c7ccccc7)c6)nc(-c6cccc7oc8ccc(-c9ccccc9)cc8c67)n5)c4c3c2)cc1
InChIInChI=1S/C57H35N3O2/c1-4-15-36(16-5-1)39-29-31-49-47(34-39)53-45(25-13-27-51(53)61-49)56-58-55(42-22-12-21-41(33-42)44-24-11-10-23-43(44)38-19-8-3-9-20-38)59-57(60-56)46-26-14-28-52-54(46)48-35-40(30-32-50(48)62-52)37-17-6-2-7-18-37/h1-35H
InChIKeyCCCVDWBPBBIZQT-UHFFFAOYSA-N
MW793.93 g/mol
LogP15.34
Rot. Bonds7

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

2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 163478028) has the molecular formula C57H35N3O2 and a molecular weight of 793.93 g/mol. Its IUPAC name is 2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID163478028
Molecular FormulaC57H35N3O2
Molecular Weight793.93 g/mol
Exact Mass793.27
IUPAC Name2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3oc4cccc(-c5nc(-c6cccc(-c7ccccc7-c7ccccc7)c6)nc(-c6cccc7oc8ccc(-c9ccccc9)cc8c67)n5)c4c3c2)cc1
InChIInChI=1S/C57H35N3O2/c1-4-15-36(16-5-1)39-29-31-49-47(34-39)53-45(25-13-27-51(53)61-49)56-58-55(42-22-12-21-41(33-42)44-24-11-10-23-43(44)38-19-8-3-9-20-38)59-57(60-56)46-26-14-28-52-54(46)48-35-40(30-32-50(48)62-52)37-17-6-2-7-18-37/h1-35H
InChIKeyCCCVDWBPBBIZQT-UHFFFAOYSA-N
XLogP15.34
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.93
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515
2-phenyl-4-(3-phenylphenyl)-6-[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946253
2,4-diphenyl-6-[8-[4-phenyl-3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199084
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-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine (CID 163478028) is 2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc3oc4cccc(-c5nc(-c6cccc(-c7ccccc7-c7ccccc7)c6)nc(-c6cccc7oc8ccc(-c9ccccc9)cc8c67)n5)c4c3c2)cc1.
What is the InChIKey of 2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is CCCVDWBPBBIZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O2/c1-4-15-36(16-5-1)39-29-31-49-47(34-39)53-45(25-13-27-51(53)61-49)56-58-55(42-22-12-21-41(33-42)44-24-11-10-23-43(44)38-19-8-3-9-20-38)59-57(60-56)46-26-14-28-52-54(46)48-35-40(30-32-50(48)62-52)37-17-6-2-7-18-37/h1-35H.
What are the key properties of 2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine?
2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 793.93 g/mol, XLogP of 15.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 163478028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).