6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene

C23H17Cl3 — CID 46901342

IUPAC6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene
SMILESCC(C)C12c3cccc(Cl)c3C(c3c(Cl)cccc31)c1c(Cl)cccc12
InChIInChI=1S/C23H17Cl3/c1-12(2)23-13-6-3-9-16(24)19(13)22(20-14(23)7-4-10-17(20)25)21-15(23)8-5-11-18(21)26/h3-12,22H,1-2H3
InChIKeyGAESIFRGBSWENH-UHFFFAOYSA-N
MW399.75 g/mol
LogP7.44
Rot. Bonds1

About 6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene

6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene (PubChem CID 46901342) has the molecular formula C23H17Cl3 and a molecular weight of 399.75 g/mol. Its IUPAC name is 6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene.

Molecular Properties

Compound Name6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene
PubChem CID46901342
Molecular FormulaC23H17Cl3
Molecular Weight399.75 g/mol
Exact Mass398.04
IUPAC Name6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene
SMILESCC(C)C12c3cccc(Cl)c3C(c3c(Cl)cccc31)c1c(Cl)cccc12
InChIInChI=1S/C23H17Cl3/c1-12(2)23-13-6-3-9-16(24)19(13)22(20-14(23)7-4-10-17(20)25)21-15(23)8-5-11-18(21)26/h3-12,22H,1-2H3
InChIKeyGAESIFRGBSWENH-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.75
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene with MolForge

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Related Compounds

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2-(2,6-dichlorophenyl)-3,3-dimethylazetidine
CID 130574989
7-chloro-3-methyl-3-propan-2-yl-1H-indol-2-one
CID 106702198
5-chloro-3,3-difluoro-4-propan-2-yl-2,4-dihydrochromene
CID 166752785
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CID 95564315
3,10-dichloropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene
CID 4224088
7-chloro-1-propan-2-yl-1H-indene
CID 165097985
1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
cis-(1R,2R)-2-(2,6-dichlorophenyl)cyclopropan-1-amine
CID 93299511
1-[3-chloro-2-(1-fluoroethyl)phenyl]cyclobutan-1-amine
CID 117327875
1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117327900

Frequently Asked Questions

What is the IUPAC name of 6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene?
The IUPAC name of 6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene (CID 46901342) is 6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene.
What is the SMILES notation for 6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene?
The canonical SMILES for 6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene is CC(C)C12c3cccc(Cl)c3C(c3c(Cl)cccc31)c1c(Cl)cccc12.
What is the InChIKey of 6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene?
The InChIKey is GAESIFRGBSWENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3/c1-12(2)23-13-6-3-9-16(24)19(13)22(20-14(23)7-4-10-17(20)25)21-15(23)8-5-11-18(21)26/h3-12,22H,1-2H3.
What are the key properties of 6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene?
6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene has a molecular weight of 399.75 g/mol, XLogP of 7.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,19-trichloro-1-propan-2-ylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 46901342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).