2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C55H31N3O3 — CID 166743004

IUPAC2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cccc5oc6cc(-c7c8ccccc8cc8oc9ccccc9c78)ccc6c45)n3)cc2)cc1
InChIInChI=1S/C55H31N3O3/c1-2-11-32(12-3-1)33-21-23-34(24-22-33)53-56-54(37-26-28-46-43(29-37)39-15-6-8-18-44(39)59-46)58-55(57-53)42-17-10-20-47-51(42)41-27-25-36(31-48(41)61-47)50-38-14-5-4-13-35(38)30-49-52(50)40-16-7-9-19-45(40)60-49/h1-31H
InChIKeyNJDNXFUYMTWSKQ-UHFFFAOYSA-N
MW781.87 g/mol
LogP15.06
Rot. Bonds5

About 2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 166743004) has the molecular formula C55H31N3O3 and a molecular weight of 781.87 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID166743004
Molecular FormulaC55H31N3O3
Molecular Weight781.87 g/mol
Exact Mass781.24
IUPAC Name2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cccc5oc6cc(-c7c8ccccc8cc8oc9ccccc9c78)ccc6c45)n3)cc2)cc1
InChIInChI=1S/C55H31N3O3/c1-2-11-32(12-3-1)33-21-23-34(24-22-33)53-56-54(37-26-28-46-43(29-37)39-15-6-8-18-44(39)59-46)58-55(57-53)42-17-10-20-47-51(42)41-27-25-36(31-48(41)61-47)50-38-14-5-4-13-35(38)30-49-52(50)40-16-7-9-19-45(40)60-49/h1-31H
InChIKeyNJDNXFUYMTWSKQ-UHFFFAOYSA-N
XLogP15.06
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.87
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017180
2-dibenzofuran-2-yl-4-(7-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741837
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163727437
2-dibenzofuran-1-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 163570475
2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166742269
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 171445503
2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157361535
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 166743004) is 2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cccc5oc6cc(-c7c8ccccc8cc8oc9ccccc9c78)ccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is NJDNXFUYMTWSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31N3O3/c1-2-11-32(12-3-1)33-21-23-34(24-22-33)53-56-54(37-26-28-46-43(29-37)39-15-6-8-18-44(39)59-46)58-55(57-53)42-17-10-20-47-51(42)41-27-25-36(31-48(41)61-47)50-38-14-5-4-13-35(38)30-49-52(50)40-16-7-9-19-45(40)60-49/h1-31H.
What are the key properties of 2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 781.87 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166743004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).