3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole

C102H56F2N4O4 — CID 138715439

IUPAC3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole
SMILESFc1c(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c(F)c(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1-n1c2ccccc2c2cc(-c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C102H56F2N4O4/c103-97-99(105-81-25-9-1-17-65(81)73-49-57(33-41-85(73)105)61-37-45-93-77(53-61)69-21-5-13-29-89(69)109-93)100(106-82-26-10-2-18-66(82)74-50-58(34-42-86(74)106)62-38-46-94-78(54-62)70-22-6-14-30-90(70)110-94)98(104)102(108-84-28-12-4-20-68(84)76-52-60(36-44-88(76)108)64-40-48-96-80(56-64)72-24-8-16-32-92(72)112-96)101(97)107-83-27-11-3-19-67(83)75-51-59(35-43-87(75)107)63-39-47-95-79(55-63)71-23-7-15-31-91(71)111-95/h1-56H
InChIKeyWUASOSDNDQSREW-UHFFFAOYSA-N
MW1439.59 g/mol
LogP28.62
Rot. Bonds8

About 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole

3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole (PubChem CID 138715439) has the molecular formula C102H56F2N4O4 and a molecular weight of 1439.59 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole
PubChem CID138715439
Molecular FormulaC102H56F2N4O4
Molecular Weight1439.59 g/mol
Exact Mass1438.43
IUPAC Name3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole
SMILESFc1c(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c(F)c(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1-n1c2ccccc2c2cc(-c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C102H56F2N4O4/c103-97-99(105-81-25-9-1-17-65(81)73-49-57(33-41-85(73)105)61-37-45-93-77(53-61)69-21-5-13-29-89(69)109-93)100(106-82-26-10-2-18-66(82)74-50-58(34-42-86(74)106)62-38-46-94-78(54-62)70-22-6-14-30-90(70)110-94)98(104)102(108-84-28-12-4-20-68(84)76-52-60(36-44-88(76)108)64-40-48-96-80(56-64)72-24-8-16-32-92(72)112-96)101(97)107-83-27-11-3-19-67(83)75-51-59(35-43-87(75)107)63-39-47-95-79(55-63)71-23-7-15-31-91(71)111-95/h1-56H
InChIKeyWUASOSDNDQSREW-UHFFFAOYSA-N
XLogP28.62
TPSA72.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001439.59
LogP ≤ 528.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole (CID 138715439) is 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole is Fc1c(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c(F)c(-n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)c1-n1c2ccccc2c2cc(-c3ccc4oc5ccccc5c4c3)ccc21.
What is the InChIKey of 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole?
The InChIKey is WUASOSDNDQSREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H56F2N4O4/c103-97-99(105-81-25-9-1-17-65(81)73-49-57(33-41-85(73)105)61-37-45-93-77(53-61)69-21-5-13-29-89(69)109-93)100(106-82-26-10-2-18-66(82)74-50-58(34-42-86(74)106)62-38-46-94-78(54-62)70-22-6-14-30-90(70)110-94)98(104)102(108-84-28-12-4-20-68(84)76-52-60(36-44-88(76)108)64-40-48-96-80(56-64)72-24-8-16-32-92(72)112-96)101(97)107-83-27-11-3-19-67(83)75-51-59(35-43-87(75)107)63-39-47-95-79(55-63)71-23-7-15-31-91(71)111-95/h1-56H.
What are the key properties of 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole?
3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole has a molecular weight of 1439.59 g/mol, XLogP of 28.62, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-3,6-difluorophenyl]carbazole is sourced from PubChem (CID 138715439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).