2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene

C63H36S — CID 137493007

IUPAC2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3c4ccccc4c(-c4ccc5sc6ccccc6c5c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C63H36S/c1-5-24-45-38(17-1)39-18-3-10-29-50(39)62-61(45)60-44-23-4-2-19-40(44)52(36-55(60)63(62)53-30-14-11-20-41(53)42-21-12-15-31-54(42)63)59-48-27-8-6-25-46(48)58(47-26-7-9-28-49(47)59)37-33-34-57-51(35-37)43-22-13-16-32-56(43)64-57/h1-36H
InChIKeyOMQWSVAERYRUMB-UHFFFAOYSA-N
MW825.05 g/mol
LogP17.50
Rot. Bonds2

About 2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene

2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene (PubChem CID 137493007) has the molecular formula C63H36S and a molecular weight of 825.05 g/mol. Its IUPAC name is 2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene.

Molecular Properties

Compound Name2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene
PubChem CID137493007
Molecular FormulaC63H36S
Molecular Weight825.05 g/mol
Exact Mass824.25
IUPAC Name2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3c4ccccc4c(-c4ccc5sc6ccccc6c5c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C63H36S/c1-5-24-45-38(17-1)39-18-3-10-29-50(39)62-61(45)60-44-23-4-2-19-40(44)52(36-55(60)63(62)53-30-14-11-20-41(53)42-21-12-15-31-54(42)63)59-48-27-8-6-25-46(48)58(47-26-7-9-28-49(47)59)37-33-34-57-51(35-37)43-22-13-16-32-56(43)64-57/h1-36H
InChIKeyOMQWSVAERYRUMB-UHFFFAOYSA-N
XLogP17.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.05
LogP ≤ 517.50
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-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

22'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962406
22'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962518
22'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962463
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
2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-1-yldibenzothiophene
CID 134528286
2-[10-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-7-yl)anthracen-9-yl]dibenzothiophene
CID 122426757
2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 153438373
2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yldibenzothiophene
CID 126712871
7-(10-dibenzothiophen-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
CID 122426281
6-[10-(9,9'-spirobi[fluorene]-3-yl)anthracen-9-yl]-15-thiatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 162712147
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene
CID 59196182
spiro[fluorene-9,16'-heptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene]
CID 155624644

Frequently Asked Questions

What is the IUPAC name of 2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene?
The IUPAC name of 2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene (CID 137493007) is 2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene.
What is the SMILES notation for 2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene?
The canonical SMILES for 2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene is c1ccc2c(c1)-c1ccccc1C21c2cc(-c3c4ccccc4c(-c4ccc5sc6ccccc6c5c4)c4ccccc34)c3ccccc3c2-c2c1c1ccccc1c1ccccc21.
What is the InChIKey of 2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene?
The InChIKey is OMQWSVAERYRUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H36S/c1-5-24-45-38(17-1)39-18-3-10-29-50(39)62-61(45)60-44-23-4-2-19-40(44)52(36-55(60)63(62)53-30-14-11-20-41(53)42-21-12-15-31-54(42)63)59-48-27-8-6-25-46(48)58(47-26-7-9-28-49(47)59)37-33-34-57-51(35-37)43-22-13-16-32-56(43)64-57/h1-36H.
What are the key properties of 2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene?
2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene has a molecular weight of 825.05 g/mol, XLogP of 17.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-22'-ylanthracen-9-yl)dibenzothiophene is sourced from PubChem (CID 137493007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).