3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole

C102H59FN4O4 — CID 163878693

IUPAC3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole
SMILESFC1C(n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)=C(n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)C=C(n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)C1n1c2ccccc2c2cc(-c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C102H59FN4O4/c103-100-101(106-84-27-11-3-19-68(84)76-51-60(35-43-88(76)106)64-39-47-98-80(55-64)72-23-7-15-31-94(72)110-98)90(104-82-25-9-1-17-66(82)74-49-58(33-41-86(74)104)62-37-45-96-78(53-62)70-21-5-13-29-92(70)108-96)57-91(105-83-26-10-2-18-67(83)75-50-59(34-42-87(75)105)63-38-46-97-79(54-63)71-22-6-14-30-93(71)109-97)102(100)107-85-28-12-4-20-69(85)77-52-61(36-44-89(77)107)65-40-48-99-81(56-65)73-24-8-16-32-95(73)111-99/h1-57,100-101H
InChIKeyPREXKHPJTLJIFN-UHFFFAOYSA-N
MW1423.62 g/mol
LogP28.34
Rot. Bonds8

About 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole

3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole (PubChem CID 163878693) has the molecular formula C102H59FN4O4 and a molecular weight of 1423.62 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole
PubChem CID163878693
Molecular FormulaC102H59FN4O4
Molecular Weight1423.62 g/mol
Exact Mass1422.45
IUPAC Name3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole
SMILESFC1C(n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)=C(n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)C=C(n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)C1n1c2ccccc2c2cc(-c3ccc4oc5ccccc5c4c3)ccc21
InChIInChI=1S/C102H59FN4O4/c103-100-101(106-84-27-11-3-19-68(84)76-51-60(35-43-88(76)106)64-39-47-98-80(55-64)72-23-7-15-31-94(72)110-98)90(104-82-25-9-1-17-66(82)74-49-58(33-41-86(74)104)62-37-45-96-78(53-62)70-21-5-13-29-92(70)108-96)57-91(105-83-26-10-2-18-67(83)75-50-59(34-42-87(75)105)63-38-46-97-79(54-63)71-22-6-14-30-93(71)109-97)102(100)107-85-28-12-4-20-69(85)77-52-61(36-44-89(77)107)65-40-48-99-81(56-65)73-24-8-16-32-95(73)111-99/h1-57,100-101H
InChIKeyPREXKHPJTLJIFN-UHFFFAOYSA-N
XLogP28.34
TPSA72.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001423.62
LogP ≤ 528.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
3-dibenzofuran-2-yl-9-methylcarbazole
CID 121307339
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
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9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
9-[2,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-3-dibenzofuran-2-ylcarbazole
CID 126632043
7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632681
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole (CID 163878693) is 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole is FC1C(n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)=C(n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)C=C(n2c3ccccc3c3cc(-c4ccc5oc6ccccc6c5c4)ccc32)C1n1c2ccccc2c2cc(-c3ccc4oc5ccccc5c4c3)ccc21.
What is the InChIKey of 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole?
The InChIKey is PREXKHPJTLJIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H59FN4O4/c103-100-101(106-84-27-11-3-19-68(84)76-51-60(35-43-88(76)106)64-39-47-98-80(55-64)72-23-7-15-31-94(72)110-98)90(104-82-25-9-1-17-66(82)74-49-58(33-41-86(74)104)62-37-45-96-78(53-62)70-21-5-13-29-92(70)108-96)57-91(105-83-26-10-2-18-67(83)75-50-59(34-42-87(75)105)63-38-46-97-79(54-63)71-22-6-14-30-93(71)109-97)102(100)107-85-28-12-4-20-69(85)77-52-61(36-44-89(77)107)65-40-48-99-81(56-65)73-24-8-16-32-95(73)111-99/h1-57,100-101H.
What are the key properties of 3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole?
3-dibenzofuran-2-yl-9-[2,4,5-tris(3-dibenzofuran-2-ylcarbazol-9-yl)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole has a molecular weight of 1423.62 g/mol, XLogP of 28.34, 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)-6-fluorocyclohexa-1,3-dien-1-yl]carbazole is sourced from PubChem (CID 163878693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).