9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole

C58H36N2O2 — CID 91972134

IUPAC9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole
SMILESc1ccc(-c2oc3cc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c(-c5ccccc5)oc4cc3c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C58H36N2O2/c1-3-15-39(16-4-1)57-55(37-27-31-41(32-28-37)59-49-23-11-7-19-43(49)44-20-8-12-24-50(44)59)47-35-54-48(36-53(47)61-57)56(58(62-54)40-17-5-2-6-18-40)38-29-33-42(34-30-38)60-51-25-13-9-21-45(51)46-22-10-14-26-52(46)60/h1-36H
InChIKeyFHDKOSLORKUETK-UHFFFAOYSA-N
MW792.94 g/mol
LogP16.04
Rot. Bonds6

About 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole

9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole (PubChem CID 91972134) has the molecular formula C58H36N2O2 and a molecular weight of 792.94 g/mol. Its IUPAC name is 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole
PubChem CID91972134
Molecular FormulaC58H36N2O2
Molecular Weight792.94 g/mol
Exact Mass792.28
IUPAC Name9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole
SMILESc1ccc(-c2oc3cc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c(-c5ccccc5)oc4cc3c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C58H36N2O2/c1-3-15-39(16-4-1)57-55(37-27-31-41(32-28-37)59-49-23-11-7-19-43(49)44-20-8-12-24-50(44)59)47-35-54-48(36-53(47)61-57)56(58(62-54)40-17-5-2-6-18-40)38-29-33-42(34-30-38)60-51-25-13-9-21-45(51)46-22-10-14-26-52(46)60/h1-36H
InChIKeyFHDKOSLORKUETK-UHFFFAOYSA-N
XLogP16.04
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 516.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole (CID 91972134) is 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole is c1ccc(-c2oc3cc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c(-c5ccccc5)oc4cc3c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole?
The InChIKey is FHDKOSLORKUETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2O2/c1-3-15-39(16-4-1)57-55(37-27-31-41(32-28-37)59-49-23-11-7-19-43(49)44-20-8-12-24-50(44)59)47-35-54-48(36-53(47)61-57)56(58(62-54)40-17-5-2-6-18-40)38-29-33-42(34-30-38)60-51-25-13-9-21-45(51)46-22-10-14-26-52(46)60/h1-36H.
What are the key properties of 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole?
9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole has a molecular weight of 792.94 g/mol, XLogP of 16.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(4-carbazol-9-ylphenyl)-2,6-diphenylfuro[2,3-f][1]benzofuran-7-yl]phenyl]carbazole is sourced from PubChem (CID 91972134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).