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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6,9,10-tetraphenylanthracene
CID 58645118
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene)
CID 158141670
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465

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).