11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene

C57H32O2 — CID 134487888

IUPAC11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5c4oc4ccccc45)c4ccccc34)cc21
InChIInChI=1S/C57H32O2/c1-3-21-41-39(19-1)52(33-29-30-37-36-17-7-12-26-48(36)57(49(37)31-33)46-24-10-5-15-34(46)35-16-6-11-25-47(35)57)40-20-2-4-22-42(40)53(41)45-32-44-38-18-8-13-27-50(38)58-55(44)54-43-23-9-14-28-51(43)59-56(45)54/h1-32H
InChIKeyFRKSVZZKSRGSJM-UHFFFAOYSA-N
MW748.88 g/mol
LogP15.47
Rot. Bonds2

About 11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene

11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene (PubChem CID 134487888) has the molecular formula C57H32O2 and a molecular weight of 748.88 g/mol. Its IUPAC name is 11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene.

Molecular Properties

Compound Name11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
PubChem CID134487888
Molecular FormulaC57H32O2
Molecular Weight748.88 g/mol
Exact Mass748.24
IUPAC Name11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5c4oc4ccccc45)c4ccccc34)cc21
InChIInChI=1S/C57H32O2/c1-3-21-41-39(19-1)52(33-29-30-37-36-17-7-12-26-48(36)57(49(37)31-33)46-24-10-5-15-34(46)35-16-6-11-25-47(35)57)40-20-2-4-22-42(40)53(41)45-32-44-38-18-8-13-27-50(38)58-55(44)54-43-23-9-14-28-51(43)59-56(45)54/h1-32H
InChIKeyFRKSVZZKSRGSJM-UHFFFAOYSA-N
XLogP15.47
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.88
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene with MolForge

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Related Compounds

11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 134487897
4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758516
2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758447
1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran
CID 155333308
11-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 88568745
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 130213656
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483785
11-(10-phenylanthracen-9-yl)-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130212291
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline
CID 67964184
2-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 170345723

Frequently Asked Questions

What is the IUPAC name of 11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?
The IUPAC name of 11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene (CID 134487888) is 11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene.
What is the SMILES notation for 11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?
The canonical SMILES for 11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5c4oc4ccccc45)c4ccccc34)cc21.
What is the InChIKey of 11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?
The InChIKey is FRKSVZZKSRGSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32O2/c1-3-21-41-39(19-1)52(33-29-30-37-36-17-7-12-26-48(36)57(49(37)31-33)46-24-10-5-15-34(46)35-16-6-11-25-47(35)57)40-20-2-4-22-42(40)53(41)45-32-44-38-18-8-13-27-50(38)58-55(44)54-43-23-9-14-28-51(43)59-56(45)54/h1-32H.
What are the key properties of 11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene?
11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene has a molecular weight of 748.88 g/mol, XLogP of 15.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene is sourced from PubChem (CID 134487888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).