9,15-dichlorospiro[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-12,1'-cyclopentane]

C27H18Cl2O — CID 129193378

IUPAC9,15-dichlorospiro[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-12,1'-cyclopentane]
SMILESClc1cc2c(c3ccccc13)-c1c(cc(Cl)c3c1oc1ccccc13)C21CCCC1
InChIInChI=1S/C27H18Cl2O/c28-20-13-18-23(16-8-2-1-7-15(16)20)25-19(27(18)11-5-6-12-27)14-21(29)24-17-9-3-4-10-22(17)30-26(24)25/h1-4,7-10,13-14H,5-6,11-12H2
InChIKeyMDAQUHMDKDKZHS-UHFFFAOYSA-N
MW429.35 g/mol
LogP8.89
Rot. Bonds

About 9,15-dichlorospiro[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-12,1'-cyclopentane]

9,15-dichlorospiro[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-12,1'-cyclopentane] (PubChem CID 129193378) has the molecular formula C27H18Cl2O and a molecular weight of 429.35 g/mol. Its IUPAC name is 9,15-dichlorospiro[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-12,1'-cyclopentane].

Molecular Properties

Compound Name9,15-dichlorospiro[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-12,1'-cyclopentane]
PubChem CID129193378
Molecular FormulaC27H18Cl2O
Molecular Weight429.35 g/mol
Exact Mass428.07
IUPAC Name9,15-dichlorospiro[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-12,1'-cyclopentane]
SMILESClc1cc2c(c3ccccc13)-c1c(cc(Cl)c3c1oc1ccccc13)C21CCCC1
InChIInChI=1S/C27H18Cl2O/c28-20-13-18-23(16-8-2-1-7-15(16)20)25-19(27(18)11-5-6-12-27)14-21(29)24-17-9-3-4-10-22(17)30-26(24)25/h1-4,7-10,13-14H,5-6,11-12H2
InChIKeyMDAQUHMDKDKZHS-UHFFFAOYSA-N
XLogP8.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,15-dichlorospiro[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-12,1'-cyclopentane] with MolForge

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Related Compounds

5-chloronaphtho[1,2-b][1]benzofuran
CID 163580167
4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran
CID 155334479
1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran
CID 155333739
9-chloro-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-undecaen-12-one
CID 146209783
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine
CID 170114783
4-chloro-1-dibenzofuran-4-ylnaphthalene-2-carbaldehyde
CID 146209946
2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 158143525
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
CID 170114215
2-dibenzofuran-4-yl-4-phenyl-6-[3-(4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine
CID 174300084
15,15-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 121477118
2,5-dichloro-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167123429
2,4-di(dibenzofuran-1-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-2-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 158143524

Frequently Asked Questions

What is the IUPAC name of 9,15-dichlorospiro[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-12,1'-cyclopentane]?
The IUPAC name of 9,15-dichlorospiro[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-12,1'-cyclopentane] (CID 129193378) is 9,15-dichlorospiro[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-12,1'-cyclopentane].
What is the SMILES notation for 9,15-dichlorospiro[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-12,1'-cyclopentane]?
The canonical SMILES for 9,15-dichlorospiro[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-12,1'-cyclopentane] is Clc1cc2c(c3ccccc13)-c1c(cc(Cl)c3c1oc1ccccc13)C21CCCC1.
What is the InChIKey of 9,15-dichlorospiro[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-12,1'-cyclopentane]?
The InChIKey is MDAQUHMDKDKZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2O/c28-20-13-18-23(16-8-2-1-7-15(16)20)25-19(27(18)11-5-6-12-27)14-21(29)24-17-9-3-4-10-22(17)30-26(24)25/h1-4,7-10,13-14H,5-6,11-12H2.
What are the key properties of 9,15-dichlorospiro[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-12,1'-cyclopentane]?
9,15-dichlorospiro[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-12,1'-cyclopentane] has a molecular weight of 429.35 g/mol, XLogP of 8.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,15-dichlorospiro[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-12,1'-cyclopentane] is sourced from PubChem (CID 129193378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).