1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene]

C30H18ClF — CID 146542281

IUPAC1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene]
SMILESFc1ccc2c(c1)C1(C3=C2C=CC3)c2ccccc2-c2cccc(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C30H18ClF/c31-19-13-11-18(12-14-19)21-6-3-8-25-23-5-1-2-9-26(23)30(29(21)25)27-10-4-7-22(27)24-16-15-20(32)17-28(24)30/h1-9,11-17H,10H2
InChIKeyGRZFJHRFADFJKQ-UHFFFAOYSA-N
MW432.93 g/mol
LogP8.19
Rot. Bonds1

About 1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene]

1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene] (PubChem CID 146542281) has the molecular formula C30H18ClF and a molecular weight of 432.93 g/mol. Its IUPAC name is 1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene].

Molecular Properties

Compound Name1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene]
PubChem CID146542281
Molecular FormulaC30H18ClF
Molecular Weight432.93 g/mol
Exact Mass432.11
IUPAC Name1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene]
SMILESFc1ccc2c(c1)C1(C3=C2C=CC3)c2ccccc2-c2cccc(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C30H18ClF/c31-19-13-11-18(12-14-19)21-6-3-8-25-23-5-1-2-9-26(23)30(29(21)25)27-10-4-7-22(27)24-16-15-20(32)17-28(24)30/h1-9,11-17H,10H2
InChIKeyGRZFJHRFADFJKQ-UHFFFAOYSA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.93
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene]?
The IUPAC name of 1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene] (CID 146542281) is 1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene].
What is the SMILES notation for 1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene]?
The canonical SMILES for 1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene] is Fc1ccc2c(c1)C1(C3=C2C=CC3)c2ccccc2-c2cccc(-c3ccc(Cl)cc3)c21.
What is the InChIKey of 1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene]?
The InChIKey is GRZFJHRFADFJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18ClF/c31-19-13-11-18(12-14-19)21-6-3-8-25-23-5-1-2-9-26(23)30(29(21)25)27-10-4-7-22(27)24-16-15-20(32)17-28(24)30/h1-9,11-17H,10H2.
What are the key properties of 1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene]?
1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene] has a molecular weight of 432.93 g/mol, XLogP of 8.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-chlorophenyl)-6-fluorospiro[3H-cyclopenta[a]indene-4,9'-fluorene] is sourced from PubChem (CID 146542281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).