(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]

C34H24 — CID 159928800

IUPAC(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]
SMILESc1ccc2c(c1)C[C@@H]1C2[C@H]2[C@@H]1c1ccccc1C21c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C34H24/c1-3-11-22-20(9-1)17-18-29-30(22)24-13-5-7-15-27(24)34(29)28-16-8-6-14-25(28)32-26-19-21-10-2-4-12-23(21)31(26)33(32)34/h1-18,26,31-33H,19H2/t26-,31?,32-,33+,34?/m1/s1
InChIKeyGJIIEHFYXLAWTR-LQVUJIPPSA-N
MW432.57 g/mol
LogP7.84
Rot. Bonds

About (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]

(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] (PubChem CID 159928800) has the molecular formula C34H24 and a molecular weight of 432.57 g/mol. Its IUPAC name is (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].

Molecular Properties

Compound Name(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]
PubChem CID159928800
Molecular FormulaC34H24
Molecular Weight432.57 g/mol
Exact Mass432.19
IUPAC Name(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]
SMILESc1ccc2c(c1)C[C@@H]1C2[C@H]2[C@@H]1c1ccccc1C21c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C34H24/c1-3-11-22-20(9-1)17-18-29-30(22)24-13-5-7-15-27(24)34(29)28-16-8-6-14-25(28)32-26-19-21-10-2-4-12-23(21)31(26)33(32)34/h1-18,26,31-33H,19H2/t26-,31?,32-,33+,34?/m1/s1
InChIKeyGJIIEHFYXLAWTR-LQVUJIPPSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (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] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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]?
The IUPAC name of (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) is (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].
What is the SMILES notation for (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]?
The canonical SMILES for (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] is c1ccc2c(c1)C[C@@H]1C2[C@H]2[C@@H]1c1ccccc1C21c2ccccc2-c2c1ccc1ccccc21.
What is the InChIKey of (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]?
The InChIKey is GJIIEHFYXLAWTR-LQVUJIPPSA-N. The full InChI is InChI=1S/C34H24/c1-3-11-22-20(9-1)17-18-29-30(22)24-13-5-7-15-27(24)34(29)28-16-8-6-14-25(28)32-26-19-21-10-2-4-12-23(21)31(26)33(32)34/h1-18,26,31-33H,19H2/t26-,31?,32-,33+,34?/m1/s1.
What are the key properties of (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]?
(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] has a molecular weight of 432.57 g/mol, XLogP of 7.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (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] is sourced from PubChem (CID 159928800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).