3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]

C27H17Cl — CID 130260790

IUPAC3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
SMILESClc1ccc2c(c1)-c1ccccc1C21c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C27H17Cl/c28-20-15-16-26-22(17-20)21-9-3-6-12-25(21)27(26)23-10-4-1-7-18(23)13-14-19-8-2-5-11-24(19)27/h1-17H
InChIKeyPQBYTLDQVUHHPR-UHFFFAOYSA-N
MW376.89 g/mol
LogP7.19
Rot. Bonds

About 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]

3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene] (PubChem CID 130260790) has the molecular formula C27H17Cl and a molecular weight of 376.89 g/mol. Its IUPAC name is 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene].

Molecular Properties

Compound Name3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
PubChem CID130260790
Molecular FormulaC27H17Cl
Molecular Weight376.89 g/mol
Exact Mass376.10
IUPAC Name3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
SMILESClc1ccc2c(c1)-c1ccccc1C21c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C27H17Cl/c28-20-15-16-26-22(17-20)21-9-3-6-12-25(21)27(26)23-10-4-1-7-18(23)13-14-19-8-2-5-11-24(19)27/h1-17H
InChIKeyPQBYTLDQVUHHPR-UHFFFAOYSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395
3-chloro-5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]
CID 134253370
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
2-chloro-5'-phenylspiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]
CID 134253365
CID 102192841
CID 102192841
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
CID 155407262
3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 146539095
3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol
CID 145358393
2-(4-methylphenyl)-4-phenyl-6-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yl-1,3,5-triazine
CID 134253394
CID 129022969
CID 129022969
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
2-(4-chlorophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130264027

Frequently Asked Questions

What is the IUPAC name of 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]?
The IUPAC name of 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene] (CID 130260790) is 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene].
What is the SMILES notation for 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]?
The canonical SMILES for 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene] is Clc1ccc2c(c1)-c1ccccc1C21c2ccccc2C=Cc2ccccc21.
What is the InChIKey of 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]?
The InChIKey is PQBYTLDQVUHHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Cl/c28-20-15-16-26-22(17-20)21-9-3-6-12-25(21)27(26)23-10-4-1-7-18(23)13-14-19-8-2-5-11-24(19)27/h1-17H.
What are the key properties of 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]?
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene] has a molecular weight of 376.89 g/mol, XLogP of 7.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene] is sourced from PubChem (CID 130260790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).