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]

C31H18Cl2 — CID 130265363

IUPAC3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
SMILESClc1ccc2c(c1)-c1cc(Cl)ccc1C21c2ccccc2-c2ccccc2-c2ccccc21
InChIInChI=1S/C31H18Cl2/c32-19-13-15-29-25(17-19)26-18-20(33)14-16-30(26)31(29)27-11-5-3-9-23(27)21-7-1-2-8-22(21)24-10-4-6-12-28(24)31/h1-18H
InChIKeyZPCBAJCIOVBMNL-UHFFFAOYSA-N
MW461.39 g/mol
LogP9.00
Rot. Bonds

About 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]

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] (PubChem CID 130265363) has the molecular formula C31H18Cl2 and a molecular weight of 461.39 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
PubChem CID130265363
Molecular FormulaC31H18Cl2
Molecular Weight461.39 g/mol
Exact Mass460.08
IUPAC Name3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
SMILESClc1ccc2c(c1)-c1cc(Cl)ccc1C21c2ccccc2-c2ccccc2-c2ccccc21
InChIInChI=1S/C31H18Cl2/c32-19-13-15-29-25(17-19)26-18-20(33)14-16-30(26)31(29)27-11-5-3-9-23(27)21-7-1-2-8-22(21)24-10-4-6-12-28(24)31/h1-18H
InChIKeyZPCBAJCIOVBMNL-UHFFFAOYSA-N
XLogP9.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.39
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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] with MolForge

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Related Compounds

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-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
CID 155407262
3'-(5-chloro-2-fluorophenyl)-9,9'-spirobi[fluorene]-2'-ol
CID 145358393
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
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
CID 129023259
CID 129023259
2-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395
3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]
CID 148559935

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is Clc1ccc2c(c1)-c1cc(Cl)ccc1C21c2ccccc2-c2ccccc2-c2ccccc21.
What is the InChIKey of 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]?
The InChIKey is ZPCBAJCIOVBMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18Cl2/c32-19-13-15-29-25(17-19)26-18-20(33)14-16-30(26)31(29)27-11-5-3-9-23(27)21-7-1-2-8-22(21)24-10-4-6-12-28(24)31/h1-18H.
What are the key properties of 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]?
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] has a molecular weight of 461.39 g/mol, XLogP of 9.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 130265363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).