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

C44H27N3O — CID 176616813

IUPAC2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4cccc5c4Cc4ccccc4-5)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C44H27N3O/c1-2-13-28(14-3-1)42-45-43(35-22-10-16-27-12-4-6-17-30(27)35)47-44(46-42)37-25-24-34(41-40(37)36-19-8-9-23-39(36)48-41)33-21-11-20-32-31-18-7-5-15-29(31)26-38(32)33/h1-25H,26H2
InChIKeySLQPIRDIZAMSCV-UHFFFAOYSA-N
MW613.72 g/mol
LogP11.16
Rot. Bonds4

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

2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 176616813) has the molecular formula C44H27N3O and a molecular weight of 613.72 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
PubChem CID176616813
Molecular FormulaC44H27N3O
Molecular Weight613.72 g/mol
Exact Mass613.22
IUPAC Name2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4cccc5c4Cc4ccccc4-5)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C44H27N3O/c1-2-13-28(14-3-1)42-45-43(35-22-10-16-27-12-4-6-17-30(27)35)47-44(46-42)37-25-24-34(41-40(37)36-19-8-9-23-39(36)48-41)33-21-11-20-32-31-18-7-5-15-29(31)26-38(32)33/h1-25H,26H2
InChIKeySLQPIRDIZAMSCV-UHFFFAOYSA-N
XLogP11.16
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742174
2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741910
2-(4-naphtho[2,1-b][1]benzofuran-8-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166739181
2-naphthalen-1-yl-4-(4-phenanthren-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742716
2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159529301
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166743398
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853832
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608
2-(4-naphtho[2,1-b][1]benzofuran-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 158469759
2,4-diphenyl-6-[6-(4-phenyldibenzofuran-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378330
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (CID 176616813) is 2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3ccc(-c4cccc5c4Cc4ccccc4-5)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is SLQPIRDIZAMSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O/c1-2-13-28(14-3-1)42-45-43(35-22-10-16-27-12-4-6-17-30(27)35)47-44(46-42)37-25-24-34(41-40(37)36-19-8-9-23-39(36)48-41)33-21-11-20-32-31-18-7-5-15-29(31)26-38(32)33/h1-25H,26H2.
What are the key properties of 2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 613.72 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-1-yl)dibenzofuran-1-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 176616813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).