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

C69H40O — CID 137494278

IUPAC2-[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
SMILESc1cc(-c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3ccccc23)cc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c1
InChIInChI=1S/C69H40O/c1-3-23-52-47(18-1)48-19-2-8-28-57(48)68-67(52)59-38-43-33-32-42(37-46(43)40-62(59)69(68)60-29-12-9-20-49(60)50-21-10-13-30-61(50)69)41-16-15-17-44(36-41)65-53-24-4-6-26-55(53)66(56-27-7-5-25-54(56)65)45-34-35-64-58(39-45)51-22-11-14-31-63(51)70-64/h1-40H
InChIKeyJNYPWSYGDYYYEQ-UHFFFAOYSA-N
MW885.08 g/mol
LogP18.70
Rot. Bonds3

About 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

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 (PubChem CID 137494278) has the molecular formula C69H40O and a molecular weight of 885.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID137494278
Molecular FormulaC69H40O
Molecular Weight885.08 g/mol
Exact Mass884.31
IUPAC Name2-[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
SMILESc1cc(-c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3ccccc23)cc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c1
InChIInChI=1S/C69H40O/c1-3-23-52-47(18-1)48-19-2-8-28-57(48)68-67(52)59-38-43-33-32-42(37-46(43)40-62(59)69(68)60-29-12-9-20-49(60)50-21-10-13-30-61(50)69)41-16-15-17-44(36-41)65-53-24-4-6-26-55(53)66(56-27-7-5-25-54(56)65)45-34-35-64-58(39-45)51-22-11-14-31-63(51)70-64/h1-40H
InChIKeyJNYPWSYGDYYYEQ-UHFFFAOYSA-N
XLogP18.70
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.08
LogP ≤ 518.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-(10-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylanthracen-9-yl)dibenzofuran
CID 137493892
2,4-diphenyl-6-(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)-1,3,5-triazine
CID 137493485
5'-triphenylen-2-ylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23-dodecaene]
CID 140962396
2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758447
4-(4-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)pyridine
CID 137492910
25,25-diphenyl-20-[10-(3-phenylphenyl)anthracen-9-yl]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
CID 140725874
2-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran
CID 166034566
2-(10-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'-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
CID 137493632
3-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylnaphthalen-2-yl)dibenzofuran
CID 166034341
2-[10-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 144583239
20'-(2-pyren-1-ylphenyl)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'-(3-pyren-1-ylphenyl)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'-(4-pyren-1-ylphenyl)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]
CID 158430376
9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2c-4c3ccccc3c3ccccc23)cc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c1.
What is the InChIKey of 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?
The InChIKey is JNYPWSYGDYYYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H40O/c1-3-23-52-47(18-1)48-19-2-8-28-57(48)68-67(52)59-38-43-33-32-42(37-46(43)40-62(59)69(68)60-29-12-9-20-49(60)50-21-10-13-30-61(50)69)41-16-15-17-44(36-41)65-53-24-4-6-26-55(53)66(56-27-7-5-25-54(56)65)45-34-35-64-58(39-45)51-22-11-14-31-63(51)70-64/h1-40H.
What are the key properties of 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?
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 has a molecular weight of 885.08 g/mol, XLogP of 18.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137494278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).