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

C53H32N2O2 — CID 168768728

IUPAC2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c34)c2)cc1
InChIInChI=1S/C53H32N2O2/c1-3-12-33(13-4-1)37-29-45(36-23-26-42-41-17-8-10-20-49(41)57-52(42)32-36)54-46(30-37)43-18-11-21-51-53(43)44-28-34(24-27-50(44)56-51)35-22-25-40-39-16-7-9-19-47(39)55(48(40)31-35)38-14-5-2-6-15-38/h1-32H
InChIKeyOMFKXSHCDXXQRF-UHFFFAOYSA-N
MW728.85 g/mol
LogP14.65
Rot. Bonds5

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

2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 168768728) has the molecular formula C53H32N2O2 and a molecular weight of 728.85 g/mol. Its IUPAC name is 2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole
PubChem CID168768728
Molecular FormulaC53H32N2O2
Molecular Weight728.85 g/mol
Exact Mass728.25
IUPAC Name2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c34)c2)cc1
InChIInChI=1S/C53H32N2O2/c1-3-12-33(13-4-1)37-29-45(36-23-26-42-41-17-8-10-20-49(41)57-52(42)32-36)54-46(30-37)43-18-11-21-51-53(43)44-28-34(24-27-50(44)56-51)35-22-25-40-39-16-7-9-19-47(39)55(48(40)31-35)38-14-5-2-6-15-38/h1-32H
InChIKeyOMFKXSHCDXXQRF-UHFFFAOYSA-N
XLogP14.65
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.85
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[1-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 168768283
2-[1-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 168768109
9-(4-dibenzofuran-4-ylphenyl)-3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 168768588
3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 168768114
3-[7-(4,6-diphenyl-2-pyridinyl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 163917513
3-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 168768203
3-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 168768540
4-[9-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768741
3-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767917
3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 168768477
4-[9-[6-(6,7-dihydrodibenzofuran-3-yl)-4-phenyl-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 166737490

Frequently Asked Questions

What is the IUPAC name of 2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole (CID 168768728) is 2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5c34)c2)cc1.
What is the InChIKey of 2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole?
The InChIKey is OMFKXSHCDXXQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O2/c1-3-12-33(13-4-1)37-29-45(36-23-26-42-41-17-8-10-20-49(41)57-52(42)32-36)54-46(30-37)43-18-11-21-51-53(43)44-28-34(24-27-50(44)56-51)35-22-25-40-39-16-7-9-19-47(39)55(48(40)31-35)38-14-5-2-6-15-38/h1-32H.
What are the key properties of 2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole?
2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 728.85 g/mol, XLogP of 14.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 168768728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).