2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene]

C37H23FO — CID 167154764

IUPAC2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene]
SMILESCc1cc2c(c3ccccc13)-c1c(cc(C)c3c1oc1ccccc13)C21c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C37H23FO/c1-20-17-30-34(26-11-4-3-9-23(20)26)35-31(18-21(2)33-27-12-6-8-14-32(27)39-36(33)35)37(30)28-13-7-5-10-24(28)25-16-15-22(38)19-29(25)37/h3-19H,1-2H3
InChIKeyVRCHOKFSRPTZNF-UHFFFAOYSA-N
MW502.59 g/mol
LogP9.84
Rot. Bonds

About 2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene]

2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene] (PubChem CID 167154764) has the molecular formula C37H23FO and a molecular weight of 502.59 g/mol. Its IUPAC name is 2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene].

Molecular Properties

Compound Name2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene]
PubChem CID167154764
Molecular FormulaC37H23FO
Molecular Weight502.59 g/mol
Exact Mass502.17
IUPAC Name2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene]
SMILESCc1cc2c(c3ccccc13)-c1c(cc(C)c3c1oc1ccccc13)C21c2ccccc2-c2ccc(F)cc21
InChIInChI=1S/C37H23FO/c1-20-17-30-34(26-11-4-3-9-23(20)26)35-31(18-21(2)33-27-12-6-8-14-32(27)39-36(33)35)37(30)28-13-7-5-10-24(28)25-16-15-22(38)19-29(25)37/h3-19H,1-2H3
InChIKeyVRCHOKFSRPTZNF-UHFFFAOYSA-N
XLogP9.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.59
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene] with MolForge

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Related Compounds

5',9'-dibromospiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]
CID 122634674
CID 163784873
CID 163784873
9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 118688084
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
1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397549
4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758516
N-(2-dibenzofuran-4-ylphenyl)-N-triphenylen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 130309054
2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]
CID 122627056
2,4-diphenyl-6-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-yl-1,3,5-triazine
CID 122627070
9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 130248084
CID 134561072
CID 134561072
N-(9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-(2-methylphenyl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene-14,9'-fluorene]-11-amine
CID 122504098

Frequently Asked Questions

What is the IUPAC name of 2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene]?
The IUPAC name of 2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene] (CID 167154764) is 2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene].
What is the SMILES notation for 2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene]?
The canonical SMILES for 2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene] is Cc1cc2c(c3ccccc13)-c1c(cc(C)c3c1oc1ccccc13)C21c2ccccc2-c2ccc(F)cc21.
What is the InChIKey of 2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene]?
The InChIKey is VRCHOKFSRPTZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23FO/c1-20-17-30-34(26-11-4-3-9-23(20)26)35-31(18-21(2)33-27-12-6-8-14-32(27)39-36(33)35)37(30)28-13-7-5-10-24(28)25-16-15-22(38)19-29(25)37/h3-19H,1-2H3.
What are the key properties of 2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene]?
2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene] has a molecular weight of 502.59 g/mol, XLogP of 9.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-fluoro-9,15-dimethylspiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene-12,9'-fluorene] is sourced from PubChem (CID 167154764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).