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

C142H80O4 — CID 159983200

IUPAC1-(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
SMILESc1ccc2c(c1)-c1c(-c3c4cccc(-c5ccc6oc7ccccc7c6c5)c4cc4c(-c5ccc6oc7ccccc7c6c5)cccc34)cccc1C21c2ccccc2-c2c1c1ccccc1c1ccccc21.c1ccc2c(c1)-c1c(-c3c4cccc(-c5cccc6oc7ccccc7c56)c4cc4c(-c5cccc6oc7ccccc7c56)cccc34)cccc1C21c2ccccc2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/2C71H40O2/c1-3-20-47-41(18-1)42-19-2-4-21-50(42)70-69(47)52-23-6-10-34-59(52)71(70)58-33-9-5-22-51(58)66-55(32-15-35-60(66)71)65-48-28-13-26-43(45-30-16-38-63-67(45)53-24-7-11-36-61(53)72-63)56(48)40-57-44(27-14-29-49(57)65)46-31-17-39-64-68(46)54-25-8-12-37-62(54)73-64;1-3-20-49-45(16-1)46-17-2-4-21-52(46)70-69(49)54-23-6-10-30-61(54)71(70)60-29-9-5-22-53(60)68-55(28-15-31-62(68)71)67-50-26-13-24-43(41-34-36-65-58(38-41)47-18-7-11-32-63(47)72-65)56(50)40-57-44(25-14-27-51(57)67)42-35-37-66-59(39-42)48-19-8-12-33-64(48)73-66/h2*1-40H
InChIKeyOGAOMRPJMUQYCD-UHFFFAOYSA-N
MW1850.20 g/mol
LogP38.89
Rot. Bonds6

About 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

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 (PubChem CID 159983200) has the molecular formula C142H80O4 and a molecular weight of 1850.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159983200
Molecular FormulaC142H80O4
Molecular Weight1850.20 g/mol
Exact Mass1848.61
IUPAC Name1-(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
SMILESc1ccc2c(c1)-c1c(-c3c4cccc(-c5ccc6oc7ccccc7c6c5)c4cc4c(-c5ccc6oc7ccccc7c6c5)cccc34)cccc1C21c2ccccc2-c2c1c1ccccc1c1ccccc21.c1ccc2c(c1)-c1c(-c3c4cccc(-c5cccc6oc7ccccc7c56)c4cc4c(-c5cccc6oc7ccccc7c56)cccc34)cccc1C21c2ccccc2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/2C71H40O2/c1-3-20-47-41(18-1)42-19-2-4-21-50(42)70-69(47)52-23-6-10-34-59(52)71(70)58-33-9-5-22-51(58)66-55(32-15-35-60(66)71)65-48-28-13-26-43(45-30-16-38-63-67(45)53-24-7-11-36-61(53)72-63)56(48)40-57-44(27-14-29-49(57)65)46-31-17-39-64-68(46)54-25-8-12-37-62(54)73-64;1-3-20-49-45(16-1)46-17-2-4-21-52(46)70-69(49)54-23-6-10-30-61(54)71(70)60-29-9-5-22-53(60)68-55(28-15-31-62(68)71)67-50-26-13-24-43(41-34-36-65-58(38-41)47-18-7-11-32-63(47)72-65)56(50)40-57-44(25-14-27-51(57)67)42-35-37-66-59(39-42)48-19-8-12-33-64(48)73-66/h2*1-40H
InChIKeyOGAOMRPJMUQYCD-UHFFFAOYSA-N
XLogP38.89
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001850.20
LogP ≤ 538.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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
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
2-[8-dibenzofuran-2-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
CID 155333779
9-methyl-2-[8-(9-methylcarbazol-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]carbazole
CID 155333687
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
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
2-[10-(3-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-ylphenyl)anthracen-9-yl]dibenzofuran
CID 137494278
1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
CID 129100189
1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran
CID 155333308
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
4-(4-dibenzofuran-2-yl-9-phenylfluoren-9-yl)pyridine
CID 135173145

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)-c1c(-c3c4cccc(-c5ccc6oc7ccccc7c6c5)c4cc4c(-c5ccc6oc7ccccc7c6c5)cccc34)cccc1C21c2ccccc2-c2c1c1ccccc1c1ccccc21.c1ccc2c(c1)-c1c(-c3c4cccc(-c5cccc6oc7ccccc7c56)c4cc4c(-c5cccc6oc7ccccc7c56)cccc34)cccc1C21c2ccccc2-c2c1c1ccccc1c1ccccc21.
What is the InChIKey of 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?
The InChIKey is OGAOMRPJMUQYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C71H40O2/c1-3-20-47-41(18-1)42-19-2-4-21-50(42)70-69(47)52-23-6-10-34-59(52)71(70)58-33-9-5-22-51(58)66-55(32-15-35-60(66)71)65-48-28-13-26-43(45-30-16-38-63-67(45)53-24-7-11-36-61(53)72-63)56(48)40-57-44(27-14-29-49(57)65)46-31-17-39-64-68(46)54-25-8-12-37-62(54)73-64;1-3-20-49-45(16-1)46-17-2-4-21-52(46)70-69(49)54-23-6-10-30-61(54)71(70)60-29-9-5-22-53(60)68-55(28-15-31-62(68)71)67-50-26-13-24-43(41-34-36-65-58(38-41)47-18-7-11-32-63(47)72-65)56(50)40-57-44(25-14-27-51(57)67)42-35-37-66-59(39-42)48-19-8-12-33-64(48)73-66/h2*1-40H.
What are the key properties of 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?
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 has a molecular weight of 1850.20 g/mol, XLogP of 38.89, 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[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 is sourced from PubChem (CID 159983200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).