1,2,3,4-tetraphenyltetraphenylene

C48H32 — CID 12596759

IUPAC1,2,3,4-tetraphenyltetraphenylene
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2ccccc2-c2ccccc2-c2ccccc2-3)cc1
InChIInChI=1S/C48H32/c1-5-19-33(20-6-1)43-44(34-21-7-2-8-22-34)46(36-25-11-4-12-26-36)48-42-32-18-16-30-40(42)38-28-14-13-27-37(38)39-29-15-17-31-41(39)47(48)45(43)35-23-9-3-10-24-35/h1-32H/b39-37-,40-38-,47-41-,48-42-
InChIKeyRHAMNNRXGMPXMV-DKNILWACSA-N
MW608.78 g/mol
LogP13.34
Rot. Bonds4

About 1,2,3,4-tetraphenyltetraphenylene

1,2,3,4-tetraphenyltetraphenylene (PubChem CID 12596759) has the molecular formula C48H32 and a molecular weight of 608.78 g/mol. Its IUPAC name is 1,2,3,4-tetraphenyltetraphenylene.

Molecular Properties

Compound Name1,2,3,4-tetraphenyltetraphenylene
PubChem CID12596759
Molecular FormulaC48H32
Molecular Weight608.78 g/mol
Exact Mass608.25
IUPAC Name1,2,3,4-tetraphenyltetraphenylene
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2ccccc2-c2ccccc2-c2ccccc2-3)cc1
InChIInChI=1S/C48H32/c1-5-19-33(20-6-1)43-44(34-21-7-2-8-22-34)46(36-25-11-4-12-26-36)48-42-32-18-16-30-40(42)38-28-14-13-27-37(38)39-29-15-17-31-41(39)47(48)45(43)35-23-9-3-10-24-35/h1-32H/b39-37-,40-38-,47-41-,48-42-
InChIKeyRHAMNNRXGMPXMV-DKNILWACSA-N
XLogP13.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.78
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetraphenyltetraphenylene?
The IUPAC name of 1,2,3,4-tetraphenyltetraphenylene (CID 12596759) is 1,2,3,4-tetraphenyltetraphenylene.
What is the SMILES notation for 1,2,3,4-tetraphenyltetraphenylene?
The canonical SMILES for 1,2,3,4-tetraphenyltetraphenylene is c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(c2-c2ccccc2)-c2ccccc2-c2ccccc2-c2ccccc2-3)cc1.
What is the InChIKey of 1,2,3,4-tetraphenyltetraphenylene?
The InChIKey is RHAMNNRXGMPXMV-DKNILWACSA-N. The full InChI is InChI=1S/C48H32/c1-5-19-33(20-6-1)43-44(34-21-7-2-8-22-34)46(36-25-11-4-12-26-36)48-42-32-18-16-30-40(42)38-28-14-13-27-37(38)39-29-15-17-31-41(39)47(48)45(43)35-23-9-3-10-24-35/h1-32H/b39-37-,40-38-,47-41-,48-42-.
What are the key properties of 1,2,3,4-tetraphenyltetraphenylene?
1,2,3,4-tetraphenyltetraphenylene has a molecular weight of 608.78 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraphenyltetraphenylene is sourced from PubChem (CID 12596759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).