5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole

C44H27N3O — CID 170253940

IUPAC5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc(-c3cccc4oc5cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc5c34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H27N3O/c1-3-12-28(13-4-1)37-27-38(46-44(45-37)29-14-5-2-6-15-29)34-19-11-21-41-43(34)35-23-22-32(26-42(35)48-41)47-39-20-10-9-18-33(39)36-24-30-16-7-8-17-31(30)25-40(36)47/h1-27H
InChIKeyKBIJDNTWCHOFOP-UHFFFAOYSA-N
MW613.72 g/mol
LogP11.63
Rot. Bonds4

About 5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole

5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole (PubChem CID 170253940) has the molecular formula C44H27N3O and a molecular weight of 613.72 g/mol. Its IUPAC name is 5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole
PubChem CID170253940
Molecular FormulaC44H27N3O
Molecular Weight613.72 g/mol
Exact Mass613.22
IUPAC Name5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc(-c3cccc4oc5cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc5c34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H27N3O/c1-3-12-28(13-4-1)37-27-38(46-44(45-37)29-14-5-2-6-15-29)34-19-11-21-41-43(34)35-23-22-32(26-42(35)48-41)47-39-20-10-9-18-33(39)36-24-30-16-7-8-17-31(30)25-40(36)47/h1-27H
InChIKeyKBIJDNTWCHOFOP-UHFFFAOYSA-N
XLogP11.63
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
3-[9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 146334319
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole
CID 170253427
9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 166953278
5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155431004
5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 163878525
9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 146519902
9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 146334011
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-3-yl]benzo[b]carbazole
CID 166495763
5-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155431025
5-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155431014

Frequently Asked Questions

What is the IUPAC name of 5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole?
The IUPAC name of 5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole (CID 170253940) is 5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole?
The canonical SMILES for 5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole is c1ccc(-c2cc(-c3cccc4oc5cc(-n6c7ccccc7c7cc8ccccc8cc76)ccc5c34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole?
The InChIKey is KBIJDNTWCHOFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O/c1-3-12-28(13-4-1)37-27-38(46-44(45-37)29-14-5-2-6-15-29)34-19-11-21-41-43(34)35-23-22-32(26-42(35)48-41)47-39-20-10-9-18-33(39)36-24-30-16-7-8-17-31(30)25-40(36)47/h1-27H.
What are the key properties of 5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole?
5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole has a molecular weight of 613.72 g/mol, XLogP of 11.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole is sourced from PubChem (CID 170253940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).