9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole

C65H38N2O3 — CID 168768588

IUPAC9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5c34)n2)cc1
InChIInChI=1S/C65H38N2O3/c1-2-12-40(13-3-1)55-36-44(43-26-31-50-48-15-5-8-21-59(48)69-63(50)38-43)37-56(66-55)52-19-11-23-62-64(52)54-35-42(28-33-61(54)68-62)41-27-32-58-53(34-41)47-14-4-7-20-57(47)67(58)45-29-24-39(25-30-45)46-17-10-18-51-49-16-6-9-22-60(49)70-65(46)51/h1-38H
InChIKeyKPXYMWZYJHVAAD-UHFFFAOYSA-N
MW895.03 g/mol
LogP18.21
Rot. Bonds6

About 9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole

9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole (PubChem CID 168768588) has the molecular formula C65H38N2O3 and a molecular weight of 895.03 g/mol. Its IUPAC name is 9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole
PubChem CID168768588
Molecular FormulaC65H38N2O3
Molecular Weight895.03 g/mol
Exact Mass894.29
IUPAC Name9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5c34)n2)cc1
InChIInChI=1S/C65H38N2O3/c1-2-12-40(13-3-1)55-36-44(43-26-31-50-48-15-5-8-21-59(48)69-63(50)38-43)37-56(66-55)52-19-11-23-62-64(52)54-35-42(28-33-61(54)68-62)41-27-32-58-53(34-41)47-14-4-7-20-57(47)67(58)45-29-24-39(25-30-45)46-17-10-18-51-49-16-6-9-22-60(49)70-65(46)51/h1-38H
InChIKeyKPXYMWZYJHVAAD-UHFFFAOYSA-N
XLogP18.21
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.03
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168768511
2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768728
2,4-diphenyl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]pyrimidine;9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-phenylphenyl)carbazole
CID 157412775
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 161237045
2,4-diphenyl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]pyrimidine;9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-(4-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-phenylphenyl)carbazole
CID 159790001
5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439
3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 159582452
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 158642416
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137466609
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
3-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-[4-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 159354385

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole (CID 168768588) is 9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole is c1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)cc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5c34)n2)cc1.
What is the InChIKey of 9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole?
The InChIKey is KPXYMWZYJHVAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H38N2O3/c1-2-12-40(13-3-1)55-36-44(43-26-31-50-48-15-5-8-21-59(48)69-63(50)38-43)37-56(66-55)52-19-11-23-62-64(52)54-35-42(28-33-61(54)68-62)41-27-32-58-53(34-41)47-14-4-7-20-57(47)67(58)45-29-24-39(25-30-45)46-17-10-18-51-49-16-6-9-22-60(49)70-65(46)51/h1-38H.
What are the key properties of 9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole?
9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole has a molecular weight of 895.03 g/mol, XLogP of 18.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 168768588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).