1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran

C134H76O4 — CID 162141045

IUPAC1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran
SMILESc1ccc2c(c1)-c1ccc3ccccc3c1C21c2ccccc2-c2c(-c3c4cccc(-c5ccc6oc7ccccc7c6c5)c4cc4c(-c5ccc6oc7ccccc7c6c5)cccc34)cccc21.c1ccc2c(c1)-c1ccc3ccccc3c1C21c2ccccc2-c2c(-c3c4cccc(-c5cccc6oc7ccccc7c56)c4cc4c(-c5cccc6oc7ccccc7c56)cccc34)cccc21
InChIInChI=1S/2C67H38O2/c1-2-17-40-39(16-1)36-37-48-43-18-3-7-29-55(43)67(66(40)48)56-30-8-4-19-49(56)63-52(28-13-31-57(63)67)62-46-24-11-22-41(44-26-14-34-60-64(44)50-20-5-9-32-58(50)68-60)53(46)38-54-42(23-12-25-47(54)62)45-27-15-35-61-65(45)51-21-6-10-33-59(51)69-61;1-2-15-44-39(14-1)30-33-50-45-16-3-7-25-57(45)67(66(44)50)58-26-8-4-19-51(58)65-52(24-13-27-59(65)67)64-48-22-11-20-42(40-31-34-62-55(36-40)46-17-5-9-28-60(46)68-62)53(48)38-54-43(21-12-23-49(54)64)41-32-35-63-56(37-41)47-18-6-10-29-61(47)69-63/h2*1-38H
InChIKeyZJXUVAHGCCRTNX-UHFFFAOYSA-N
MW1750.08 g/mol
LogP36.58
Rot. Bonds6

About 1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran

1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran (PubChem CID 162141045) has the molecular formula C134H76O4 and a molecular weight of 1750.08 g/mol. Its IUPAC name is 1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran.

Molecular Properties

Compound Name1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran
PubChem CID162141045
Molecular FormulaC134H76O4
Molecular Weight1750.08 g/mol
Exact Mass1748.57
IUPAC Name1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran
SMILESc1ccc2c(c1)-c1ccc3ccccc3c1C21c2ccccc2-c2c(-c3c4cccc(-c5ccc6oc7ccccc7c6c5)c4cc4c(-c5ccc6oc7ccccc7c6c5)cccc34)cccc21.c1ccc2c(c1)-c1ccc3ccccc3c1C21c2ccccc2-c2c(-c3c4cccc(-c5cccc6oc7ccccc7c56)c4cc4c(-c5cccc6oc7ccccc7c56)cccc34)cccc21
InChIInChI=1S/2C67H38O2/c1-2-17-40-39(16-1)36-37-48-43-18-3-7-29-55(43)67(66(40)48)56-30-8-4-19-49(56)63-52(28-13-31-57(63)67)62-46-24-11-22-41(44-26-14-34-60-64(44)50-20-5-9-32-58(50)68-60)53(46)38-54-42(23-12-25-47(54)62)45-27-15-35-61-65(45)51-21-6-10-33-59(51)69-61;1-2-15-44-39(14-1)30-33-50-45-16-3-7-25-57(45)67(66(44)50)58-26-8-4-19-51(58)65-52(24-13-27-59(65)67)64-48-22-11-20-42(40-31-34-62-55(36-40)46-17-5-9-28-60(46)68-62)53(48)38-54-43(21-12-23-49(54)64)41-32-35-63-56(37-41)47-18-6-10-29-61(47)69-63/h2*1-38H
InChIKeyZJXUVAHGCCRTNX-UHFFFAOYSA-N
XLogP36.58
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001750.08
LogP ≤ 536.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran with MolForge

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Related Compounds

1-(8-dibenzofuran-1-yl-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl)dibenzofuran
CID 159983200
1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran
CID 159724531
1-[10-(9,9-diphenylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 158916579
9-methyl-2-[8-(9-methylcarbazol-2-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]carbazole
CID 155333547
2-[8-dibenzofuran-2-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
CID 155333779
1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 155333385
1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 155334387
2-(10-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 137493809
4-dibenzofuran-2-yl-12-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170035915
1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran;1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-3-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran;3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
CID 159633377
1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran
CID 155333308
1-[8-dibenzofuran-1-yl-10-(2,4-diphenylphenyl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(2,4-diphenylphenyl)anthracen-1-yl]dibenzofuran;3-[8-dibenzofuran-3-yl-10-(2,4-diphenylphenyl)anthracen-1-yl]dibenzofuran
CID 159957368

Frequently Asked Questions

What is the IUPAC name of 1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran?
The IUPAC name of 1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran (CID 162141045) is 1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran.
What is the SMILES notation for 1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran?
The canonical SMILES for 1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran is c1ccc2c(c1)-c1ccc3ccccc3c1C21c2ccccc2-c2c(-c3c4cccc(-c5ccc6oc7ccccc7c6c5)c4cc4c(-c5ccc6oc7ccccc7c6c5)cccc34)cccc21.c1ccc2c(c1)-c1ccc3ccccc3c1C21c2ccccc2-c2c(-c3c4cccc(-c5cccc6oc7ccccc7c56)c4cc4c(-c5cccc6oc7ccccc7c56)cccc34)cccc21.
What is the InChIKey of 1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran?
The InChIKey is ZJXUVAHGCCRTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C67H38O2/c1-2-17-40-39(16-1)36-37-48-43-18-3-7-29-55(43)67(66(40)48)56-30-8-4-19-49(56)63-52(28-13-31-57(63)67)62-46-24-11-22-41(44-26-14-34-60-64(44)50-20-5-9-32-58(50)68-60)53(46)38-54-42(23-12-25-47(54)62)45-27-15-35-61-65(45)51-21-6-10-33-59(51)69-61;1-2-15-44-39(14-1)30-33-50-45-16-3-7-25-57(45)67(66(44)50)58-26-8-4-19-51(58)65-52(24-13-27-59(65)67)64-48-22-11-20-42(40-31-34-62-55(36-40)46-17-5-9-28-60(46)68-62)53(48)38-54-43(21-12-23-49(54)64)41-32-35-63-56(37-41)47-18-6-10-29-61(47)69-63/h2*1-38H.
What are the key properties of 1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran?
1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran has a molecular weight of 1750.08 g/mol, XLogP of 36.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran is sourced from PubChem (CID 162141045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).