spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene]

C37H20O — CID 166096305

IUPACspiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)c1cccc2oc4cccc3c4c21
InChIInChI=1S/C37H20O/c1-4-14-29-21(9-1)22-10-2-5-15-30(22)37(29)31-16-6-3-11-23(31)28-19-26-24-12-7-17-33-35(24)36-25(27(26)20-32(28)37)13-8-18-34(36)38-33/h1-20H
InChIKeyZHQNTMZKHPLDEV-UHFFFAOYSA-N
MW480.57 g/mol
LogP9.67
Rot. Bonds

About spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene]

spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene] (PubChem CID 166096305) has the molecular formula C37H20O and a molecular weight of 480.57 g/mol. Its IUPAC name is spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene].

Molecular Properties

Compound Namespiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene]
PubChem CID166096305
Molecular FormulaC37H20O
Molecular Weight480.57 g/mol
Exact Mass480.15
IUPAC Namespiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)c1cccc2oc4cccc3c4c21
InChIInChI=1S/C37H20O/c1-4-14-29-21(9-1)22-10-2-5-15-30(22)37(29)31-16-6-3-11-23(31)28-19-26-24-12-7-17-33-35(24)36-25(27(26)20-32(28)37)13-8-18-34(36)38-33/h1-20H
InChIKeyZHQNTMZKHPLDEV-UHFFFAOYSA-N
XLogP9.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene] with MolForge

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Related Compounds

ethane;spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene]-2-ylboronic acid
CID 166096275
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
N,N-bis(9,9'-spirobi[fluorene]-2-yl)-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-amine
CID 167121459
N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583359
CID 129022969
CID 129022969
26-(9,9'-spirobi[fluorene]-3-yl)-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 154692291
CID 129023259
CID 129023259
3-[(1R)-1-spiro[fluorene-9,11'-heptacyclo[13.10.2.02,14.04,12.05,10.019,27.022,26]heptacosa-1(26),2,4(12),5,7,9,13,15,17,19(27),22,24-dodecaene]-21'-ylethyl]dibenzofuran
CID 166096400
20'-(3-triphenylen-2-ylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]
CID 159754407
4-bromospiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 134528270
CID 129022952
CID 129022952

Frequently Asked Questions

What is the IUPAC name of spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene]?
The IUPAC name of spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene] (CID 166096305) is spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene].
What is the SMILES notation for spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene]?
The canonical SMILES for spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(cc21)c1cccc2oc4cccc3c4c21.
What is the InChIKey of spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene]?
The InChIKey is ZHQNTMZKHPLDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20O/c1-4-14-29-21(9-1)22-10-2-5-15-30(22)37(29)31-16-6-3-11-23(31)28-19-26-24-12-7-17-33-35(24)36-25(27(26)20-32(28)37)13-8-18-34(36)38-33/h1-20H.
What are the key properties of spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene]?
spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene] has a molecular weight of 480.57 g/mol, XLogP of 9.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene] is sourced from PubChem (CID 166096305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).