2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C61H39N3O — CID 164797654

IUPAC2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccc(-c6ccccc6)cc5c4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7ccccc7)cc6-c6ccccc6)c45)n3)cc2)cc1
InChIInChI=1S/C61H39N3O/c1-5-14-40(15-6-1)43-24-28-46(29-25-43)59-62-60(49-31-27-44-26-30-47(36-51(44)37-49)41-16-7-2-8-17-41)64-61(63-59)50-33-35-54-57(39-50)65-56-23-13-22-53(58(54)56)52-34-32-48(42-18-9-3-10-19-42)38-55(52)45-20-11-4-12-21-45/h1-39H
InChIKeyWRMTYJFDTMZWAP-UHFFFAOYSA-N
MW830.00 g/mol
LogP16.26
Rot. Bonds8

About 2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 164797654) has the molecular formula C61H39N3O and a molecular weight of 830.00 g/mol. Its IUPAC name is 2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID164797654
Molecular FormulaC61H39N3O
Molecular Weight830.00 g/mol
Exact Mass829.31
IUPAC Name2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccc(-c6ccccc6)cc5c4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7ccccc7)cc6-c6ccccc6)c45)n3)cc2)cc1
InChIInChI=1S/C61H39N3O/c1-5-14-40(15-6-1)43-24-28-46(29-25-43)59-62-60(49-31-27-44-26-30-47(36-51(44)37-49)41-16-7-2-8-17-41)64-61(63-59)50-33-35-54-57(39-50)65-56-23-13-22-53(58(54)56)52-34-32-48(42-18-9-3-10-19-42)38-55(52)45-20-11-4-12-21-45/h1-39H
InChIKeyWRMTYJFDTMZWAP-UHFFFAOYSA-N
XLogP16.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.00
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164798119
2-(3,4-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797807
2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797827
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743599
2-[6-(7-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166742881
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
2-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797715
2-naphthalen-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 177273064
2-(3-naphthalen-2-ylphenyl)-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164798209
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441

Frequently Asked Questions

What is the IUPAC name of 2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 164797654) is 2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5ccc(-c6ccccc6)cc5c4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7ccccc7)cc6-c6ccccc6)c45)n3)cc2)cc1.
What is the InChIKey of 2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is WRMTYJFDTMZWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3O/c1-5-14-40(15-6-1)43-24-28-46(29-25-43)59-62-60(49-31-27-44-26-30-47(36-51(44)37-49)41-16-7-2-8-17-41)64-61(63-59)50-33-35-54-57(39-50)65-56-23-13-22-53(58(54)56)52-34-32-48(42-18-9-3-10-19-42)38-55(52)45-20-11-4-12-21-45/h1-39H.
What are the key properties of 2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 830.00 g/mol, XLogP of 16.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164797654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).