2,6,9,10-tetrakis(4-phenylphenyl)anthracene

C62H42 — CID 123923188

IUPAC2,6,9,10-tetrakis(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3ccc4c(-c5ccc(-c6ccccc6)cc5)c5cc(-c6ccc(-c7ccccc7)cc6)ccc5c(-c5ccc(-c6ccccc6)cc5)c4c3)cc2)cc1
InChIInChI=1S/C62H42/c1-5-13-43(14-6-1)47-21-25-51(26-22-47)55-37-39-57-59(41-55)61(53-33-29-49(30-34-53)45-17-9-3-10-18-45)58-40-38-56(52-27-23-48(24-28-52)44-15-7-2-8-16-44)42-60(58)62(57)54-35-31-50(32-36-54)46-19-11-4-12-20-46/h1-42H
InChIKeySTFQVKMTRFFNBJ-UHFFFAOYSA-N
MW787.02 g/mol
LogP17.33
Rot. Bonds8

About 2,6,9,10-tetrakis(4-phenylphenyl)anthracene

2,6,9,10-tetrakis(4-phenylphenyl)anthracene (PubChem CID 123923188) has the molecular formula C62H42 and a molecular weight of 787.02 g/mol. Its IUPAC name is 2,6,9,10-tetrakis(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name2,6,9,10-tetrakis(4-phenylphenyl)anthracene
PubChem CID123923188
Molecular FormulaC62H42
Molecular Weight787.02 g/mol
Exact Mass786.33
IUPAC Name2,6,9,10-tetrakis(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(-c3ccc4c(-c5ccc(-c6ccccc6)cc5)c5cc(-c6ccc(-c7ccccc7)cc6)ccc5c(-c5ccc(-c6ccccc6)cc5)c4c3)cc2)cc1
InChIInChI=1S/C62H42/c1-5-13-43(14-6-1)47-21-25-51(26-22-47)55-37-39-57-59(41-55)61(53-33-29-49(30-34-53)45-17-9-3-10-18-45)58-40-38-56(52-27-23-48(24-28-52)44-15-7-2-8-16-44)42-60(58)62(57)54-35-31-50(32-36-54)46-19-11-4-12-20-46/h1-42H
InChIKeySTFQVKMTRFFNBJ-UHFFFAOYSA-N
XLogP17.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.02
LogP ≤ 517.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6,9,10-tetrakis(4-phenylphenyl)anthracene?
The IUPAC name of 2,6,9,10-tetrakis(4-phenylphenyl)anthracene (CID 123923188) is 2,6,9,10-tetrakis(4-phenylphenyl)anthracene.
What is the SMILES notation for 2,6,9,10-tetrakis(4-phenylphenyl)anthracene?
The canonical SMILES for 2,6,9,10-tetrakis(4-phenylphenyl)anthracene is c1ccc(-c2ccc(-c3ccc4c(-c5ccc(-c6ccccc6)cc5)c5cc(-c6ccc(-c7ccccc7)cc6)ccc5c(-c5ccc(-c6ccccc6)cc5)c4c3)cc2)cc1.
What is the InChIKey of 2,6,9,10-tetrakis(4-phenylphenyl)anthracene?
The InChIKey is STFQVKMTRFFNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42/c1-5-13-43(14-6-1)47-21-25-51(26-22-47)55-37-39-57-59(41-55)61(53-33-29-49(30-34-53)45-17-9-3-10-18-45)58-40-38-56(52-27-23-48(24-28-52)44-15-7-2-8-16-44)42-60(58)62(57)54-35-31-50(32-36-54)46-19-11-4-12-20-46/h1-42H.
What are the key properties of 2,6,9,10-tetrakis(4-phenylphenyl)anthracene?
2,6,9,10-tetrakis(4-phenylphenyl)anthracene has a molecular weight of 787.02 g/mol, XLogP of 17.33, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9,10-tetrakis(4-phenylphenyl)anthracene is sourced from PubChem (CID 123923188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).