1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene

C48H28Cl4 — CID 102232436

IUPAC1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene
SMILESClc1ccc(-c2ccc(-c3ccc(Cl)cc3)c3c2-c2ccccc2-c2c(-c4ccc(Cl)cc4)ccc(-c4ccc(Cl)cc4)c2-c2ccccc2-3)cc1
InChIInChI=1S/C48H28Cl4/c49-33-17-9-29(10-18-33)37-25-26-39(31-13-21-35(51)22-14-31)47-43-7-3-4-8-44(43)48-40(32-15-23-36(52)24-16-32)28-27-38(30-11-19-34(50)20-12-30)46(48)42-6-2-1-5-41(42)45(37)47/h1-28H/b45-41-,46-42-,47-43-,48-44-
InChIKeyWWLAHDHMCBZINB-UGTUTOIASA-N
MW746.56 g/mol
LogP15.95
Rot. Bonds4

About 1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene

1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene (PubChem CID 102232436) has the molecular formula C48H28Cl4 and a molecular weight of 746.56 g/mol. Its IUPAC name is 1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene.

Molecular Properties

Compound Name1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene
PubChem CID102232436
Molecular FormulaC48H28Cl4
Molecular Weight746.56 g/mol
Exact Mass744.09
IUPAC Name1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene
SMILESClc1ccc(-c2ccc(-c3ccc(Cl)cc3)c3c2-c2ccccc2-c2c(-c4ccc(Cl)cc4)ccc(-c4ccc(Cl)cc4)c2-c2ccccc2-3)cc1
InChIInChI=1S/C48H28Cl4/c49-33-17-9-29(10-18-33)37-25-26-39(31-13-21-35(51)22-14-31)47-43-7-3-4-8-44(43)48-40(32-15-23-36(52)24-16-32)28-27-38(30-11-19-34(50)20-12-30)46(48)42-6-2-1-5-41(42)45(37)47/h1-28H/b45-41-,46-42-,47-43-,48-44-
InChIKeyWWLAHDHMCBZINB-UGTUTOIASA-N
XLogP15.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.56
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene?
The IUPAC name of 1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene (CID 102232436) is 1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene.
What is the SMILES notation for 1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene?
The canonical SMILES for 1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene is Clc1ccc(-c2ccc(-c3ccc(Cl)cc3)c3c2-c2ccccc2-c2c(-c4ccc(Cl)cc4)ccc(-c4ccc(Cl)cc4)c2-c2ccccc2-3)cc1.
What is the InChIKey of 1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene?
The InChIKey is WWLAHDHMCBZINB-UGTUTOIASA-N. The full InChI is InChI=1S/C48H28Cl4/c49-33-17-9-29(10-18-33)37-25-26-39(31-13-21-35(51)22-14-31)47-43-7-3-4-8-44(43)48-40(32-15-23-36(52)24-16-32)28-27-38(30-11-19-34(50)20-12-30)46(48)42-6-2-1-5-41(42)45(37)47/h1-28H/b45-41-,46-42-,47-43-,48-44-.
What are the key properties of 1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene?
1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene has a molecular weight of 746.56 g/mol, XLogP of 15.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,9,12-tetrakis(4-chlorophenyl)tetraphenylene is sourced from PubChem (CID 102232436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).