2,3,6,7-tetraphenyltetraphenylene

C48H32 — CID 134982386

IUPAC2,3,6,7-tetraphenyltetraphenylene
SMILESc1ccc(-c2cc3c(cc2-c2ccccc2)-c2cc(-c4ccccc4)c(-c4ccccc4)cc2-c2ccccc2-c2ccccc2-3)cc1
InChIInChI=1S/C48H32/c1-5-17-33(18-6-1)41-29-45-39-27-15-13-25-37(39)38-26-14-16-28-40(38)46-30-42(34-19-7-2-8-20-34)44(36-23-11-4-12-24-36)32-48(46)47(45)31-43(41)35-21-9-3-10-22-35/h1-32H/b38-37-,45-39-,46-40-,48-47-
InChIKeyDUDOSRVXDNKNOO-LZDYDOQKSA-N
MW608.78 g/mol
LogP13.34
Rot. Bonds4

About 2,3,6,7-tetraphenyltetraphenylene

2,3,6,7-tetraphenyltetraphenylene (PubChem CID 134982386) has the molecular formula C48H32 and a molecular weight of 608.78 g/mol. Its IUPAC name is 2,3,6,7-tetraphenyltetraphenylene.

Molecular Properties

Compound Name2,3,6,7-tetraphenyltetraphenylene
PubChem CID134982386
Molecular FormulaC48H32
Molecular Weight608.78 g/mol
Exact Mass608.25
IUPAC Name2,3,6,7-tetraphenyltetraphenylene
SMILESc1ccc(-c2cc3c(cc2-c2ccccc2)-c2cc(-c4ccccc4)c(-c4ccccc4)cc2-c2ccccc2-c2ccccc2-3)cc1
InChIInChI=1S/C48H32/c1-5-17-33(18-6-1)41-29-45-39-27-15-13-25-37(39)38-26-14-16-28-40(38)46-30-42(34-19-7-2-8-20-34)44(36-23-11-4-12-24-36)32-48(46)47(45)31-43(41)35-21-9-3-10-22-35/h1-32H/b38-37-,45-39-,46-40-,48-47-
InChIKeyDUDOSRVXDNKNOO-LZDYDOQKSA-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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Related Compounds

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methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
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1,3,5-trichloro-2-[2-[4,5-diphenyl-2-(2,4,6-trichlorophenyl)phenyl]-4,5-diphenylphenyl]benzene
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1,4-bis(2,4-dimethyl-5-phenylphenyl)-2,5-bis(2-methylphenyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetraphenyltetraphenylene?
The IUPAC name of 2,3,6,7-tetraphenyltetraphenylene (CID 134982386) is 2,3,6,7-tetraphenyltetraphenylene.
What is the SMILES notation for 2,3,6,7-tetraphenyltetraphenylene?
The canonical SMILES for 2,3,6,7-tetraphenyltetraphenylene is c1ccc(-c2cc3c(cc2-c2ccccc2)-c2cc(-c4ccccc4)c(-c4ccccc4)cc2-c2ccccc2-c2ccccc2-3)cc1.
What is the InChIKey of 2,3,6,7-tetraphenyltetraphenylene?
The InChIKey is DUDOSRVXDNKNOO-LZDYDOQKSA-N. The full InChI is InChI=1S/C48H32/c1-5-17-33(18-6-1)41-29-45-39-27-15-13-25-37(39)38-26-14-16-28-40(38)46-30-42(34-19-7-2-8-20-34)44(36-23-11-4-12-24-36)32-48(46)47(45)31-43(41)35-21-9-3-10-22-35/h1-32H/b38-37-,45-39-,46-40-,48-47-.
What are the key properties of 2,3,6,7-tetraphenyltetraphenylene?
2,3,6,7-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 2,3,6,7-tetraphenyltetraphenylene is sourced from PubChem (CID 134982386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).