(4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene

C24H14Cl2 — CID 141495292

IUPAC(4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene
SMILESClc1ccc2/c(c1)=c1/cccc/c1=c1\cccc\c1=c1/cc(Cl)cc/c1=2
InChIInChI=1S/C24H14Cl2/c25-15-9-11-21-22-12-10-16(26)14-24(22)20-8-4-2-6-18(20)17-5-1-3-7-19(17)23(21)13-15/h1-14H/b18-17-,22-21-,23-19-,24-20-
InChIKeyJXCTWAWAXAOCNO-APHFGAQZSA-N
MW373.28 g/mol
LogP6.45
Rot. Bonds

About (4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene

(4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene (PubChem CID 141495292) has the molecular formula C24H14Cl2 and a molecular weight of 373.28 g/mol. Its IUPAC name is (4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene.

Molecular Properties

Compound Name(4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene
PubChem CID141495292
Molecular FormulaC24H14Cl2
Molecular Weight373.28 g/mol
Exact Mass372.05
IUPAC Name(4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene
SMILESClc1ccc2/c(c1)=c1/cccc/c1=c1\cccc\c1=c1/cc(Cl)cc/c1=2
InChIInChI=1S/C24H14Cl2/c25-15-9-11-21-22-12-10-16(26)14-24(22)20-8-4-2-6-18(20)17-5-1-3-7-19(17)23(21)13-15/h1-14H/b18-17-,22-21-,23-19-,24-20-
InChIKeyJXCTWAWAXAOCNO-APHFGAQZSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene?
The IUPAC name of (4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene (CID 141495292) is (4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene.
What is the SMILES notation for (4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene?
The canonical SMILES for (4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene is Clc1ccc2/c(c1)=c1/cccc/c1=c1\cccc\c1=c1/cc(Cl)cc/c1=2.
What is the InChIKey of (4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene?
The InChIKey is JXCTWAWAXAOCNO-APHFGAQZSA-N. The full InChI is InChI=1S/C24H14Cl2/c25-15-9-11-21-22-12-10-16(26)14-24(22)20-8-4-2-6-18(20)17-5-1-3-7-19(17)23(21)13-15/h1-14H/b18-17-,22-21-,23-19-,24-20-.
What are the key properties of (4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene?
(4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene has a molecular weight of 373.28 g/mol, XLogP of 6.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,8aZ,12aZ,16aZ)-2,7-dichlorotetraphenylene is sourced from PubChem (CID 141495292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).