3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole

C84H50N4O2 — CID 58084684

IUPAC3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)c3)cc12
InChIInChI=1S/C84H50N4O2/c1-9-25-73-61(17-1)62-18-2-10-26-74(62)85(73)57-41-55(42-58(49-57)86-75-27-11-3-19-63(75)64-20-4-12-28-76(64)86)56-43-59(87-77-29-13-5-21-65(77)69-45-51(33-37-79(69)87)53-35-39-83-71(47-53)67-23-7-15-31-81(67)89-83)50-60(44-56)88-78-30-14-6-22-66(78)70-46-52(34-38-80(70)88)54-36-40-84-72(48-54)68-24-8-16-32-82(68)90-84/h1-50H
InChIKeyCLYMGTUXTQLEKR-UHFFFAOYSA-N
MW1147.35 g/mol
LogP22.87
Rot. Bonds7

About 3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole

3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 58084684) has the molecular formula C84H50N4O2 and a molecular weight of 1147.35 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole
PubChem CID58084684
Molecular FormulaC84H50N4O2
Molecular Weight1147.35 g/mol
Exact Mass1146.39
IUPAC Name3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)c3)cc12
InChIInChI=1S/C84H50N4O2/c1-9-25-73-61(17-1)62-18-2-10-26-74(62)85(73)57-41-55(42-58(49-57)86-75-27-11-3-19-63(75)64-20-4-12-28-76(64)86)56-43-59(87-77-29-13-5-21-65(77)69-45-51(33-37-79(69)87)53-35-39-83-71(47-53)67-23-7-15-31-81(67)89-83)50-60(44-56)88-78-30-14-6-22-66(78)70-46-52(34-38-80(70)88)54-36-40-84-72(48-54)68-24-8-16-32-82(68)90-84/h1-50H
InChIKeyCLYMGTUXTQLEKR-UHFFFAOYSA-N
XLogP22.87
TPSA46.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.35
LogP ≤ 522.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole (CID 58084684) is 3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)cc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)c3)cc12.
What is the InChIKey of 3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole?
The InChIKey is CLYMGTUXTQLEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50N4O2/c1-9-25-73-61(17-1)62-18-2-10-26-74(62)85(73)57-41-55(42-58(49-57)86-75-27-11-3-19-63(75)64-20-4-12-28-76(64)86)56-43-59(87-77-29-13-5-21-65(77)69-45-51(33-37-79(69)87)53-35-39-83-71(47-53)67-23-7-15-31-81(67)89-83)50-60(44-56)88-78-30-14-6-22-66(78)70-46-52(34-38-80(70)88)54-36-40-84-72(48-54)68-24-8-16-32-82(68)90-84/h1-50H.
What are the key properties of 3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole?
3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 1147.35 g/mol, XLogP of 22.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 58084684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).