2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine

C46H29N3O — CID 169033683

IUPAC2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)C(c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2ccc(-c4cccc5oc6ccccc6c45)cc2-3)cc1
InChIInChI=1S/C46H29N3O/c1-4-13-29(14-5-1)32-23-25-35-38-28-33(34-20-12-22-41-42(34)37-19-10-11-21-40(37)50-41)24-26-36(38)43(39(35)27-32)46-48-44(30-15-6-2-7-16-30)47-45(49-46)31-17-8-3-9-18-31/h1-28,43H
InChIKeyDDLDDHQBACATKJ-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.60
Rot. Bonds5

About 2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine

2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 169033683) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID169033683
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)C(c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2ccc(-c4cccc5oc6ccccc6c45)cc2-3)cc1
InChIInChI=1S/C46H29N3O/c1-4-13-29(14-5-1)32-23-25-35-38-28-33(34-20-12-22-41-42(34)37-19-10-11-21-40(37)50-41)24-26-36(38)43(39(35)27-32)46-48-44(30-15-6-2-7-16-30)47-45(49-46)31-17-8-3-9-18-31/h1-28,43H
InChIKeyDDLDDHQBACATKJ-UHFFFAOYSA-N
XLogP11.60
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-(3-dibenzofuran-1-ylphenyl)-4-[11-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150917
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-dibenzofuran-1-yl-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177112627
2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942372
2-(2-dibenzofuran-1-ylphenyl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine;2-(3-dibenzofuran-1-ylphenyl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 167556194
2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164942447
2-[10-(3-dibenzofuran-1-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925668
2-[2-(12H-fluoreno[2,1-b][1]benzofuran-12-yl)-5-(2-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167381717

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine (CID 169033683) is 2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2ccc3c(c2)C(c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2ccc(-c4cccc5oc6ccccc6c45)cc2-3)cc1.
What is the InChIKey of 2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is DDLDDHQBACATKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-4-13-29(14-5-1)32-23-25-35-38-28-33(34-20-12-22-41-42(34)37-19-10-11-21-40(37)50-41)24-26-36(38)43(39(35)27-32)46-48-44(30-15-6-2-7-16-30)47-45(49-46)31-17-8-3-9-18-31/h1-28,43H.
What are the key properties of 2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine?
2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 639.76 g/mol, XLogP of 11.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-dibenzofuran-1-yl-2-phenyl-9H-fluoren-9-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 169033683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).