2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C55H33N3O2 — CID 167424104

IUPAC2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc5oc6ccc7ccccc7c6c45)n3)cc2)cc1
InChIInChI=1S/C55H33N3O2/c1-3-11-34(12-4-1)35-23-25-40(26-24-35)54-56-53(39-14-5-2-6-15-39)57-55(58-54)46-31-42(33-50-52(46)51-43-16-8-7-13-38(43)28-30-48(51)60-50)37-21-19-36(20-22-37)41-27-29-45-44-17-9-10-18-47(44)59-49(45)32-41/h1-33H
InChIKeyOYSJXQKAWFEMOH-UHFFFAOYSA-N
MW767.89 g/mol
LogP14.83
Rot. Bonds6

About 2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 167424104) has the molecular formula C55H33N3O2 and a molecular weight of 767.89 g/mol. Its IUPAC name is 2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID167424104
Molecular FormulaC55H33N3O2
Molecular Weight767.89 g/mol
Exact Mass767.26
IUPAC Name2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc5oc6ccc7ccccc7c6c45)n3)cc2)cc1
InChIInChI=1S/C55H33N3O2/c1-3-11-34(12-4-1)35-23-25-40(26-24-35)54-56-53(39-14-5-2-6-15-39)57-55(58-54)46-31-42(33-50-52(46)51-43-16-8-7-13-38(43)28-30-48(51)60-50)37-21-19-36(20-22-37)41-27-29-45-44-17-9-10-18-47(44)59-49(45)32-41/h1-33H
InChIKeyOYSJXQKAWFEMOH-UHFFFAOYSA-N
XLogP14.83
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.89
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(9-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 177130834
2-dibenzofuran-3-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742821
2-(3-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742618
2-dibenzofuran-2-yl-4-(3-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 176617094
N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 156554104
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 174314684
2-phenanthren-3-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742439
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867
2-(3-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742355
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 167402011
2-(4-dibenzofuran-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251319

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 167424104) is 2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)cc5oc6ccc7ccccc7c6c45)n3)cc2)cc1.
What is the InChIKey of 2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is OYSJXQKAWFEMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O2/c1-3-11-34(12-4-1)35-23-25-40(26-24-35)54-56-53(39-14-5-2-6-15-39)57-55(58-54)46-31-42(33-50-52(46)51-43-16-8-7-13-38(43)28-30-48(51)60-50)37-21-19-36(20-22-37)41-27-29-45-44-17-9-10-18-47(44)59-49(45)32-41/h1-33H.
What are the key properties of 2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 767.89 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167424104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).