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

C60H34F2N4O — CID 145186332

IUPAC9-[2,6,8-tri(carbazol-9-yl)-3,7-difluorodibenzofuran-4-yl]carbazole
SMILESFc1c(-n2c3ccccc3c3ccccc32)cc2c(oc3c(-n4c5ccccc5c5ccccc54)c(F)c(-n4c5ccccc5c5ccccc54)cc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C60H34F2N4O/c61-55-53(63-45-25-9-1-17-35(45)36-18-2-10-26-46(36)63)33-43-44-34-54(64-47-27-11-3-19-37(47)38-20-4-12-28-48(38)64)56(62)58(66-51-31-15-7-23-41(51)42-24-8-16-32-52(42)66)60(44)67-59(43)57(55)65-49-29-13-5-21-39(49)40-22-6-14-30-50(40)65/h1-34H
InChIKeyMMPYUOFIGNMNNM-UHFFFAOYSA-N
MW864.96 g/mol
LogP16.25
Rot. Bonds4

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

9-[2,6,8-tri(carbazol-9-yl)-3,7-difluorodibenzofuran-4-yl]carbazole (PubChem CID 145186332) has the molecular formula C60H34F2N4O and a molecular weight of 864.96 g/mol. Its IUPAC name is 9-[2,6,8-tri(carbazol-9-yl)-3,7-difluorodibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[2,6,8-tri(carbazol-9-yl)-3,7-difluorodibenzofuran-4-yl]carbazole
PubChem CID145186332
Molecular FormulaC60H34F2N4O
Molecular Weight864.96 g/mol
Exact Mass864.27
IUPAC Name9-[2,6,8-tri(carbazol-9-yl)-3,7-difluorodibenzofuran-4-yl]carbazole
SMILESFc1c(-n2c3ccccc3c3ccccc32)cc2c(oc3c(-n4c5ccccc5c5ccccc54)c(F)c(-n4c5ccccc5c5ccccc54)cc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C60H34F2N4O/c61-55-53(63-45-25-9-1-17-35(45)36-18-2-10-26-46(36)63)33-43-44-34-54(64-47-27-11-3-19-37(47)38-20-4-12-28-48(38)64)56(62)58(66-51-31-15-7-23-41(51)42-24-8-16-32-52(42)66)60(44)67-59(43)57(55)65-49-29-13-5-21-39(49)40-22-6-14-30-50(40)65/h1-34H
InChIKeyMMPYUOFIGNMNNM-UHFFFAOYSA-N
XLogP16.25
TPSA32.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.96
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[2,6,8-tri(carbazol-9-yl)-3,7-difluorodibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[2,6,8-tri(carbazol-9-yl)-3,7-difluorodibenzofuran-4-yl]carbazole (CID 145186332) is 9-[2,6,8-tri(carbazol-9-yl)-3,7-difluorodibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[2,6,8-tri(carbazol-9-yl)-3,7-difluorodibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[2,6,8-tri(carbazol-9-yl)-3,7-difluorodibenzofuran-4-yl]carbazole is Fc1c(-n2c3ccccc3c3ccccc32)cc2c(oc3c(-n4c5ccccc5c5ccccc54)c(F)c(-n4c5ccccc5c5ccccc54)cc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2,6,8-tri(carbazol-9-yl)-3,7-difluorodibenzofuran-4-yl]carbazole?
The InChIKey is MMPYUOFIGNMNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34F2N4O/c61-55-53(63-45-25-9-1-17-35(45)36-18-2-10-26-46(36)63)33-43-44-34-54(64-47-27-11-3-19-37(47)38-20-4-12-28-48(38)64)56(62)58(66-51-31-15-7-23-41(51)42-24-8-16-32-52(42)66)60(44)67-59(43)57(55)65-49-29-13-5-21-39(49)40-22-6-14-30-50(40)65/h1-34H.
What are the key properties of 9-[2,6,8-tri(carbazol-9-yl)-3,7-difluorodibenzofuran-4-yl]carbazole?
9-[2,6,8-tri(carbazol-9-yl)-3,7-difluorodibenzofuran-4-yl]carbazole has a molecular weight of 864.96 g/mol, XLogP of 16.25, 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)-3,7-difluorodibenzofuran-4-yl]carbazole is sourced from PubChem (CID 145186332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).