9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole

C60H32F4N4O — CID 145186343

IUPAC9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole
SMILESFc1c(-n2c3ccccc3c3ccccc32)c(F)c2c(oc3c(-n4c5ccccc5c5ccccc54)c(F)c(-n4c5ccccc5c5ccccc54)c(F)c32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C60H32F4N4O/c61-51-49-50-52(62)56(66-43-27-11-3-19-35(43)36-20-4-12-28-44(36)66)54(64)58(68-47-31-15-7-23-39(47)40-24-8-16-32-48(40)68)60(50)69-59(49)57(67-45-29-13-5-21-37(45)38-22-6-14-30-46(38)67)53(63)55(51)65-41-25-9-1-17-33(41)34-18-2-10-26-42(34)65/h1-32H
InChIKeyLBMCVEJYKUTKCM-UHFFFAOYSA-N
MW900.94 g/mol
LogP16.53
Rot. Bonds4

About 9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole

9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole (PubChem CID 145186343) has the molecular formula C60H32F4N4O and a molecular weight of 900.94 g/mol. Its IUPAC name is 9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole
PubChem CID145186343
Molecular FormulaC60H32F4N4O
Molecular Weight900.94 g/mol
Exact Mass900.25
IUPAC Name9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole
SMILESFc1c(-n2c3ccccc3c3ccccc32)c(F)c2c(oc3c(-n4c5ccccc5c5ccccc54)c(F)c(-n4c5ccccc5c5ccccc54)c(F)c32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C60H32F4N4O/c61-51-49-50-52(62)56(66-43-27-11-3-19-35(43)36-20-4-12-28-44(36)66)54(64)58(68-47-31-15-7-23-39(47)40-24-8-16-32-48(40)68)60(50)69-59(49)57(67-45-29-13-5-21-37(45)38-22-6-14-30-46(38)67)53(63)55(51)65-41-25-9-1-17-33(41)34-18-2-10-26-42(34)65/h1-32H
InChIKeyLBMCVEJYKUTKCM-UHFFFAOYSA-N
XLogP16.53
TPSA32.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.94
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole (CID 145186343) is 9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole is Fc1c(-n2c3ccccc3c3ccccc32)c(F)c2c(oc3c(-n4c5ccccc5c5ccccc54)c(F)c(-n4c5ccccc5c5ccccc54)c(F)c32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole?
The InChIKey is LBMCVEJYKUTKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H32F4N4O/c61-51-49-50-52(62)56(66-43-27-11-3-19-35(43)36-20-4-12-28-44(36)66)54(64)58(68-47-31-15-7-23-39(47)40-24-8-16-32-48(40)68)60(50)69-59(49)57(67-45-29-13-5-21-37(45)38-22-6-14-30-46(38)67)53(63)55(51)65-41-25-9-1-17-33(41)34-18-2-10-26-42(34)65/h1-32H.
What are the key properties of 9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole?
9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole has a molecular weight of 900.94 g/mol, XLogP of 16.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6,8-tri(carbazol-9-yl)-1,3,7,9-tetrafluorodibenzofuran-4-yl]carbazole is sourced from PubChem (CID 145186343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).