6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene

C18H9Cl — CID 14938398

IUPAC6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene
SMILESClc1ccc2c3c1ccc1ccc4cccc-2c4c13
InChIInChI=1S/C18H9Cl/c19-15-9-8-13-12-3-1-2-10-4-5-11-6-7-14(15)18(13)17(11)16(10)12/h1-9H
InChIKeyPXXUOXYPWFRJOR-UHFFFAOYSA-N
MW260.72 g/mol
LogP5.78
Rot. Bonds

About 6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene

6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene (PubChem CID 14938398) has the molecular formula C18H9Cl and a molecular weight of 260.72 g/mol. Its IUPAC name is 6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene.

Molecular Properties

Compound Name6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene
PubChem CID14938398
Molecular FormulaC18H9Cl
Molecular Weight260.72 g/mol
Exact Mass260.04
IUPAC Name6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene
SMILESClc1ccc2c3c1ccc1ccc4cccc-2c4c13
InChIInChI=1S/C18H9Cl/c19-15-9-8-13-12-3-1-2-10-4-5-11-6-7-14(15)18(13)17(11)16(10)12/h1-9H
InChIKeyPXXUOXYPWFRJOR-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.72
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 28308
9-Chloroanthracene
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1-Chloroanthracene
CID 39740
1-Chloropyrene
CID 36730
7-Chlorobenz(a)anthracene
CID 88446
9-Chlorophenanthrene
CID 13694
1,8-Dichloro-10-methyl-anthracene
CID 4071761
1-Chloro-9,10-bis(phenylethynyl)anthracene
CID 170465
Acenaphthene, 5-chloro-
CID 97507
1,3,6-Trichloropyrene
CID 627676
Anthracene, 9-chloro-10-chloromethyl-
CID 29899

Frequently Asked Questions

What is the IUPAC name of 6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene?
The IUPAC name of 6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene (CID 14938398) is 6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene.
What is the SMILES notation for 6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene?
The canonical SMILES for 6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene is Clc1ccc2c3c1ccc1ccc4cccc-2c4c13.
What is the InChIKey of 6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene?
The InChIKey is PXXUOXYPWFRJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl/c19-15-9-8-13-12-3-1-2-10-4-5-11-6-7-14(15)18(13)17(11)16(10)12/h1-9H.
What are the key properties of 6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene?
6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene has a molecular weight of 260.72 g/mol, XLogP of 5.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaene is sourced from PubChem (CID 14938398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).