3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole

C55H33NO2 — CID 163643866

IUPAC3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C5c4ccc5oc6ccccc6c5c4)ccc32)c1
InChIInChI=1S/C55H33NO2/c1-2-16-43-39(12-1)45-29-34(20-24-44(45)55(43)37-23-27-54-48(32-37)42-15-5-8-19-52(42)58-54)35-21-25-50-46(30-35)40-13-3-6-17-49(40)56(50)38-11-9-10-33(28-38)36-22-26-53-47(31-36)41-14-4-7-18-51(41)57-53/h1-32,55H
InChIKeyIGOUKYLXWBGCBV-UHFFFAOYSA-N
MW739.87 g/mol
LogP15.08
Rot. Bonds4

About 3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole

3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole (PubChem CID 163643866) has the molecular formula C55H33NO2 and a molecular weight of 739.87 g/mol. Its IUPAC name is 3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole.

Molecular Properties

Compound Name3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole
PubChem CID163643866
Molecular FormulaC55H33NO2
Molecular Weight739.87 g/mol
Exact Mass739.25
IUPAC Name3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C5c4ccc5oc6ccccc6c5c4)ccc32)c1
InChIInChI=1S/C55H33NO2/c1-2-16-43-39(12-1)45-29-34(20-24-44(45)55(43)37-23-27-54-48(32-37)42-15-5-8-19-52(42)58-54)35-21-25-50-46(30-35)40-13-3-6-17-49(40)56(50)38-11-9-10-33(28-38)36-22-26-53-47(31-36)41-14-4-7-18-51(41)57-53/h1-32,55H
InChIKeyIGOUKYLXWBGCBV-UHFFFAOYSA-N
XLogP15.08
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.87
LogP ≤ 515.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole?
The IUPAC name of 3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole (CID 163643866) is 3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole.
What is the SMILES notation for 3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole?
The canonical SMILES for 3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole is c1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C5c4ccc5oc6ccccc6c5c4)ccc32)c1.
What is the InChIKey of 3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole?
The InChIKey is IGOUKYLXWBGCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33NO2/c1-2-16-43-39(12-1)45-29-34(20-24-44(45)55(43)37-23-27-54-48(32-37)42-15-5-8-19-52(42)58-54)35-21-25-50-46(30-35)40-13-3-6-17-49(40)56(50)38-11-9-10-33(28-38)36-22-26-53-47(31-36)41-14-4-7-18-51(41)57-53/h1-32,55H.
What are the key properties of 3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole?
3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole has a molecular weight of 739.87 g/mol, XLogP of 15.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzofuran-2-yl-9H-fluoren-3-yl)-9-(3-dibenzofuran-2-ylphenyl)carbazole is sourced from PubChem (CID 163643866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).