(2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene]

C30H22 — CID 159928803

IUPAC(2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene]
SMILESc1ccc2c(c1)CC1[C@H]3c4ccccc4C4(c5ccccc5-c5ccccc54)[C@H]3[C@@H]21
InChIInChI=1S/C30H22/c1-2-10-19-18(9-1)17-23-27(19)29-28(23)22-13-5-8-16-26(22)30(29)24-14-6-3-11-20(24)21-12-4-7-15-25(21)30/h1-16,23,27-29H,17H2/t23?,27-,28+,29-/m0/s1
InChIKeyCXUVJIRANJNFRA-VYJMLLJBSA-N
MW382.51 g/mol
LogP6.68
Rot. Bonds

About (2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene]

(2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene] (PubChem CID 159928803) has the molecular formula C30H22 and a molecular weight of 382.51 g/mol. Its IUPAC name is (2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene].

Molecular Properties

Compound Name(2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene]
PubChem CID159928803
Molecular FormulaC30H22
Molecular Weight382.51 g/mol
Exact Mass382.17
IUPAC Name(2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene]
SMILESc1ccc2c(c1)CC1[C@H]3c4ccccc4C4(c5ccccc5-c5ccccc54)[C@H]3[C@@H]21
InChIInChI=1S/C30H22/c1-2-10-19-18(9-1)17-23-27(19)29-28(23)22-13-5-8-16-26(22)30(29)24-14-6-3-11-20(24)21-12-4-7-15-25(21)30/h1-16,23,27-29H,17H2/t23?,27-,28+,29-/m0/s1
InChIKeyCXUVJIRANJNFRA-VYJMLLJBSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cycloheptane_2', 'substructure': 'N/A'}

Analyze (2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene] with MolForge

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Related Compounds

(1'R,2'R,10'S)-spiro[benzo[c]fluorene-7,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene]
CID 159928800
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756
(1S,2R,10S,17S)-pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
CID 98554614
pentacyclo[8.7.0.02,17.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaen-10-ol
CID 90482140
[(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine
CID 96542205
(2S,3S,4R,7R)-7-methyltetracyclo[6.4.0.02,4.03,7]dodeca-1(12),8,10-triene
CID 11171225
(1R,9S,15S)-13-methoxytetracyclo[7.6.0.02,7.010,15]pentadeca-2,4,6,12-tetraene-11,14-dione
CID 10083645
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
9-cyclopentyl-9-phenylfluorene
CID 59853281
(1R,9S,10R,14S)-12-phenyl-12-azatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione
CID 164667723
(1R,2S,10R,11S,12R,17S)-18-oxapentacyclo[9.6.1.02,10.03,8.012,17]octadeca-3,5,7-triene
CID 125180810
(2S,4aS,9bR)-2-methyl-4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
CID 11903995

Frequently Asked Questions

What is the IUPAC name of (2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene]?
The IUPAC name of (2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene] (CID 159928803) is (2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene].
What is the SMILES notation for (2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene]?
The canonical SMILES for (2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene] is c1ccc2c(c1)CC1[C@H]3c4ccccc4C4(c5ccccc5-c5ccccc54)[C@H]3[C@@H]21.
What is the InChIKey of (2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene]?
The InChIKey is CXUVJIRANJNFRA-VYJMLLJBSA-N. The full InChI is InChI=1S/C30H22/c1-2-10-19-18(9-1)17-23-27(19)29-28(23)22-13-5-8-16-26(22)30(29)24-14-6-3-11-20(24)21-12-4-7-15-25(21)30/h1-16,23,27-29H,17H2/t23?,27-,28+,29-/m0/s1.
What are the key properties of (2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene]?
(2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene] has a molecular weight of 382.51 g/mol, XLogP of 6.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,10'S,11'S)-spiro[fluorene-9,9'-pentacyclo[9.7.0.02,10.03,8.012,17]octadeca-3,5,7,12,14,16-hexaene] is sourced from PubChem (CID 159928803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).