2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C43H29N3O — CID 166656528

IUPAC2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=Cc2cc3oc4cc(-c5ccc(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc4c3cc2CC1
InChIInChI=1S/C43H29N3O/c1-3-11-30(12-4-1)41-44-42(31-13-5-2-6-14-31)46-43(45-41)37-18-10-9-17-35(37)29-21-19-28(20-22-29)34-23-24-36-38-25-32-15-7-8-16-33(32)26-40(38)47-39(36)27-34/h1-6,8-14,16-27H,7,15H2
InChIKeyAFLLHEQJZDVJDT-UHFFFAOYSA-N
MW603.73 g/mol
LogP11.07
Rot. Bonds5

About 2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 166656528) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID166656528
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=Cc2cc3oc4cc(-c5ccc(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc4c3cc2CC1
InChIInChI=1S/C43H29N3O/c1-3-11-30(12-4-1)41-44-42(31-13-5-2-6-14-31)46-43(45-41)37-18-10-9-17-35(37)29-21-19-28(20-22-29)34-23-24-36-38-25-32-15-7-8-16-33(32)26-40(38)47-39(36)27-34/h1-6,8-14,16-27H,7,15H2
InChIKeyAFLLHEQJZDVJDT-UHFFFAOYSA-N
XLogP11.07
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(5,6-dihydrotriphenylen-2-yl)dibenzofuran-3-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 167200523
2-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942380
2-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624
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
2-[4-[8-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193050
2-dibenzofuran-1-yl-4-[6-(5,6-dihydronaphthalen-2-yl)naphthalen-2-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 170129630
2-(2-dibenzofuran-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850267
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184
2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170020099
2-chloro-4-dibenzofuran-3-yl-6-(5,6-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 142555468
2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 167007286
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 166656528) is 2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is C1=Cc2cc3oc4cc(-c5ccc(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc4c3cc2CC1.
What is the InChIKey of 2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is AFLLHEQJZDVJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-3-11-30(12-4-1)41-44-42(31-13-5-2-6-14-31)46-43(45-41)37-18-10-9-17-35(37)29-21-19-28(20-22-29)34-23-24-36-38-25-32-15-7-8-16-33(32)26-40(38)47-39(36)27-34/h1-6,8-14,16-27H,7,15H2.
What are the key properties of 2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 603.73 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(9,10-dihydronaphtho[2,3-b][1]benzofuran-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 166656528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).