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

C27H19Cl — CID 155407262

IUPAC3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
SMILESClc1ccc2c(c1)-c1ccccc1C21c2ccccc2CCc2ccccc21
InChIInChI=1S/C27H19Cl/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/h1-12,15-17H,13-14H2
InChIKeySTRNCFODXJWQRQ-UHFFFAOYSA-N
MW378.90 g/mol
LogP6.80
Rot. Bonds

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

3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] (PubChem CID 155407262) has the molecular formula C27H19Cl and a molecular weight of 378.90 g/mol. Its IUPAC name is 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene].

Molecular Properties

Compound Name3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
PubChem CID155407262
Molecular FormulaC27H19Cl
Molecular Weight378.90 g/mol
Exact Mass378.12
IUPAC Name3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
SMILESClc1ccc2c(c1)-c1ccccc1C21c2ccccc2CCc2ccccc21
InChIInChI=1S/C27H19Cl/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/h1-12,15-17H,13-14H2
InChIKeySTRNCFODXJWQRQ-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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Related Compounds

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
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260790
CID 102192841
CID 102192841
3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol
CID 145358393
16'-chlorospiro[cyclohexane-1,10'-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17-nonaene]
CID 154947345
3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 146539095
CID 129022969
CID 129022969
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
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]
CID 134298783
CID 129023259
CID 129023259

Frequently Asked Questions

What is the IUPAC name of 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]?
The IUPAC name of 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] (CID 155407262) is 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene].
What is the SMILES notation for 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]?
The canonical SMILES for 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] is Clc1ccc2c(c1)-c1ccccc1C21c2ccccc2CCc2ccccc21.
What is the InChIKey of 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]?
The InChIKey is STRNCFODXJWQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl/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/h1-12,15-17H,13-14H2.
What are the key properties of 3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]?
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene] has a molecular weight of 378.90 g/mol, XLogP of 6.80, 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),3,5,7,11,13-hexaene] is sourced from PubChem (CID 155407262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).