5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene

C15H12Cl2 — CID 46177135

IUPAC5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
SMILESClc1ccc2c(c1)CCCc1cc(Cl)ccc1-2
InChIInChI=1S/C15H12Cl2/c16-12-4-6-14-10(8-12)2-1-3-11-9-13(17)5-7-15(11)14/h4-9H,1-3H2
InChIKeyGMARHBMENSLLJF-UHFFFAOYSA-N
MW263.17 g/mol
LogP5.15
Rot. Bonds

About 5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene

5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene (PubChem CID 46177135) has the molecular formula C15H12Cl2 and a molecular weight of 263.17 g/mol. Its IUPAC name is 5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene.

Molecular Properties

Compound Name5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
PubChem CID46177135
Molecular FormulaC15H12Cl2
Molecular Weight263.17 g/mol
Exact Mass262.03
IUPAC Name5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
SMILESClc1ccc2c(c1)CCCc1cc(Cl)ccc1-2
InChIInChI=1S/C15H12Cl2/c16-12-4-6-14-10(8-12)2-1-3-11-9-13(17)5-7-15(11)14/h4-9H,1-3H2
InChIKeyGMARHBMENSLLJF-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.17
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene with MolForge

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Related Compounds

7-amino-2-chloro-7,9,10,11-tetrahydro-6H-benzo[9]annulene-5,8-dione
CID 126694549
13-chloro-5-ethyl-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene
CID 70866585
14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaen-2-one
CID 142002139
5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 23561339
7-chloro-3,4-dihydro-2H-anthracen-1-one
CID 174638642
5-chloro-1-sulfido-2,3-dihydronaphtho[1,2-b]azirine
CID 143868151
6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one
CID 84619132
8-chloro-1,2,3,4,5,6-hexahydrobenzo[f]quinoline
CID 19833134
8-chloro-5,6-dihydrochrysene
CID 174309529
6-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one
CID 14957672
7-chloro-1,3,4,5-tetrahydro-1-benzazepine-2-thione
CID 14978115
6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine
CID 141184088

Frequently Asked Questions

What is the IUPAC name of 5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
The IUPAC name of 5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene (CID 46177135) is 5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene.
What is the SMILES notation for 5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
The canonical SMILES for 5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene is Clc1ccc2c(c1)CCCc1cc(Cl)ccc1-2.
What is the InChIKey of 5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
The InChIKey is GMARHBMENSLLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2/c16-12-4-6-14-10(8-12)2-1-3-11-9-13(17)5-7-15(11)14/h4-9H,1-3H2.
What are the key properties of 5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene?
5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene has a molecular weight of 263.17 g/mol, XLogP of 5.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene is sourced from PubChem (CID 46177135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).