9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole

C162H99N9O3 — CID 165110423

IUPAC9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole
SMILESc1ccc2c(c1)oc1c(-n3c4ccccc4c4c(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cccc43)cccc12.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4c(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cccc43)ccc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cccc43)cc12
InChIInChI=1S/3C54H33N3O/c1-7-23-45-38(15-1)39-16-2-8-24-46(39)55(45)35-31-34(32-36(33-35)56-47-25-9-3-17-40(47)41-18-4-10-26-48(41)56)37-21-13-28-50-53(37)44-20-5-11-27-49(44)57(50)51-29-14-22-43-42-19-6-12-30-52(42)58-54(43)51;1-7-21-46-39(14-1)40-15-2-8-22-47(40)56(46)36-30-34(31-37(32-36)57-48-23-9-3-16-41(48)42-17-4-10-24-49(42)57)38-20-13-26-51-54(38)45-19-5-11-25-50(45)55(51)35-28-29-44-43-18-6-12-27-52(43)58-53(44)33-35;1-7-21-46-39(14-1)40-15-2-8-22-47(40)56(46)36-30-34(31-37(32-36)57-48-23-9-3-16-41(48)42-17-4-10-24-49(42)57)38-20-13-26-51-54(38)44-19-5-11-25-50(44)55(51)35-28-29-53-45(33-35)43-18-6-12-27-52(43)58-53/h3*1-33H
InChIKeyZVWRLJPFOLFEBX-UHFFFAOYSA-N
MW2219.63 g/mol
LogP43.63
Rot. Bonds12

About 9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole

9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole (PubChem CID 165110423) has the molecular formula C162H99N9O3 and a molecular weight of 2219.63 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole
PubChem CID165110423
Molecular FormulaC162H99N9O3
Molecular Weight2219.63 g/mol
Exact Mass2217.79
IUPAC Name9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole
SMILESc1ccc2c(c1)oc1c(-n3c4ccccc4c4c(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cccc43)cccc12.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4c(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cccc43)ccc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cccc43)cc12
InChIInChI=1S/3C54H33N3O/c1-7-23-45-38(15-1)39-16-2-8-24-46(39)55(45)35-31-34(32-36(33-35)56-47-25-9-3-17-40(47)41-18-4-10-26-48(41)56)37-21-13-28-50-53(37)44-20-5-11-27-49(44)57(50)51-29-14-22-43-42-19-6-12-30-52(42)58-54(43)51;1-7-21-46-39(14-1)40-15-2-8-22-47(40)56(46)36-30-34(31-37(32-36)57-48-23-9-3-16-41(48)42-17-4-10-24-49(42)57)38-20-13-26-51-54(38)45-19-5-11-25-50(45)55(51)35-28-29-44-43-18-6-12-27-52(43)58-53(44)33-35;1-7-21-46-39(14-1)40-15-2-8-22-47(40)56(46)36-30-34(31-37(32-36)57-48-23-9-3-16-41(48)42-17-4-10-24-49(42)57)38-20-13-26-51-54(38)44-19-5-11-25-50(44)55(51)35-28-29-53-45(33-35)43-18-6-12-27-52(43)58-53/h3*1-33H
InChIKeyZVWRLJPFOLFEBX-UHFFFAOYSA-N
XLogP43.63
TPSA83.79 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms174
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002219.63
LogP ≤ 543.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole?
The IUPAC name of 9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole (CID 165110423) is 9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole.
What is the SMILES notation for 9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole?
The canonical SMILES for 9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole is c1ccc2c(c1)oc1c(-n3c4ccccc4c4c(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cccc43)cccc12.c1ccc2c(c1)oc1cc(-n3c4ccccc4c4c(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cccc43)ccc12.c1ccc2c(c1)oc1ccc(-n3c4ccccc4c4c(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)cccc43)cc12.
What is the InChIKey of 9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole?
The InChIKey is ZVWRLJPFOLFEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C54H33N3O/c1-7-23-45-38(15-1)39-16-2-8-24-46(39)55(45)35-31-34(32-36(33-35)56-47-25-9-3-17-40(47)41-18-4-10-26-48(41)56)37-21-13-28-50-53(37)44-20-5-11-27-49(44)57(50)51-29-14-22-43-42-19-6-12-30-52(42)58-54(43)51;1-7-21-46-39(14-1)40-15-2-8-22-47(40)56(46)36-30-34(31-37(32-36)57-48-23-9-3-16-41(48)42-17-4-10-24-49(42)57)38-20-13-26-51-54(38)45-19-5-11-25-50(45)55(51)35-28-29-44-43-18-6-12-27-52(43)58-53(44)33-35;1-7-21-46-39(14-1)40-15-2-8-22-47(40)56(46)36-30-34(31-37(32-36)57-48-23-9-3-16-41(48)42-17-4-10-24-49(42)57)38-20-13-26-51-54(38)44-19-5-11-25-50(44)55(51)35-28-29-53-45(33-35)43-18-6-12-27-52(43)58-53/h3*1-33H.
What are the key properties of 9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole?
9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole has a molecular weight of 2219.63 g/mol, XLogP of 43.63, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole is sourced from PubChem (CID 165110423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).