2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile

C44H26N4O — CID 168774810

IUPAC2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc6ccccc6c5)c34)n2)c1
InChIInChI=1S/C44H26N4O/c45-27-35-14-6-7-17-36(35)31-15-8-16-33(25-31)43-46-42(29-11-2-1-3-12-29)47-44(48-43)34-22-23-38-40(26-34)49-39-19-9-18-37(41(38)39)32-21-20-28-10-4-5-13-30(28)24-32/h1-26H
InChIKeyZLEBUEOFHIPBMM-UHFFFAOYSA-N
MW626.72 g/mol
LogP11.13
Rot. Bonds5

About 2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile

2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile (PubChem CID 168774810) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
PubChem CID168774810
Molecular FormulaC44H26N4O
Molecular Weight626.72 g/mol
Exact Mass626.21
IUPAC Name2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc6ccccc6c5)c34)n2)c1
InChIInChI=1S/C44H26N4O/c45-27-35-14-6-7-17-36(35)31-15-8-16-33(25-31)43-46-42(29-11-2-1-3-12-29)47-44(48-43)34-22-23-38-40(26-34)49-39-19-9-18-37(41(38)39)32-21-20-28-10-4-5-13-30(28)24-32/h1-26H
InChIKeyZLEBUEOFHIPBMM-UHFFFAOYSA-N
XLogP11.13
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-naphthalen-2-yl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774661
2-[4-[4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774545
2-[4-[4-(3,5-diphenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774616
2-[4-[4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774553
2-naphthalen-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 177273064
2-(3-naphthalen-2-ylphenyl)-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164798209
2-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797715
3-[4-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774620
2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797575
2-[6-(7-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166742881
2-[3-[4-phenanthren-9-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774547
2-dibenzofuran-3-yl-4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 176765102

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The IUPAC name of 2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile (CID 168774810) is 2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile is N#Cc1ccccc1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc6ccccc6c5)c34)n2)c1.
What is the InChIKey of 2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The InChIKey is ZLEBUEOFHIPBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c45-27-35-14-6-7-17-36(35)31-15-8-16-33(25-31)43-46-42(29-11-2-1-3-12-29)47-44(48-43)34-22-23-38-40(26-34)49-39-19-9-18-37(41(38)39)32-21-20-28-10-4-5-13-30(28)24-32/h1-26H.
What are the key properties of 2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile?
2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile has a molecular weight of 626.72 g/mol, XLogP of 11.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(9-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile is sourced from PubChem (CID 168774810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).