7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene]

C27H25Cl — CID 138555365

IUPAC7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene]
SMILESClc1ccc2c(c1)C1(C3=CCCC=C32)C2=C(CCCC2)CCc2ccccc21
InChIInChI=1S/C27H25Cl/c28-20-15-16-22-21-9-3-6-12-25(21)27(26(22)17-20)23-10-4-1-7-18(23)13-14-19-8-2-5-11-24(19)27/h1,4,7,9-10,12,15-17H,2-3,5-6,8,11,13-14H2
InChIKeyGJRRJQCALGAIOM-UHFFFAOYSA-N
MW384.95 g/mol
LogP7.56
Rot. Bonds

About 7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene]

7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene] (PubChem CID 138555365) has the molecular formula C27H25Cl and a molecular weight of 384.95 g/mol. Its IUPAC name is 7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene].

Molecular Properties

Compound Name7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene]
PubChem CID138555365
Molecular FormulaC27H25Cl
Molecular Weight384.95 g/mol
Exact Mass384.16
IUPAC Name7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene]
SMILESClc1ccc2c(c1)C1(C3=CCCC=C32)C2=C(CCCC2)CCc2ccccc21
InChIInChI=1S/C27H25Cl/c28-20-15-16-22-21-9-3-6-12-25(21)27(26(22)17-20)23-10-4-1-7-18(23)13-14-19-8-2-5-11-24(19)27/h1,4,7,9-10,12,15-17H,2-3,5-6,8,11,13-14H2
InChIKeyGJRRJQCALGAIOM-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.95
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene]?
The IUPAC name of 7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene] (CID 138555365) is 7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene].
What is the SMILES notation for 7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene]?
The canonical SMILES for 7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene] is Clc1ccc2c(c1)C1(C3=CCCC=C32)C2=C(CCCC2)CCc2ccccc21.
What is the InChIKey of 7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene]?
The InChIKey is GJRRJQCALGAIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl/c28-20-15-16-22-21-9-3-6-12-25(21)27(26(22)17-20)23-10-4-1-7-18(23)13-14-19-8-2-5-11-24(19)27/h1,4,7,9-10,12,15-17H,2-3,5-6,8,11,13-14H2.
What are the key properties of 7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene]?
7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene] has a molecular weight of 384.95 g/mol, XLogP of 7.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene] is sourced from PubChem (CID 138555365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).