9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene

C56H50 — CID 21043379

IUPAC9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene
SMILESCc1c(C)c(C)c(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5c(C)c(C)c(C)c(C)c5C)c5ccccc45)cc3)c3ccccc23)c(C)c1C
InChIInChI=1S/C56H50/c1-31-33(3)37(7)51(38(8)34(31)4)55-47-23-15-11-19-43(47)53(44-20-12-16-24-48(44)55)41-27-29-42(30-28-41)54-45-21-13-17-25-49(45)56(50-26-18-14-22-46(50)54)52-39(9)35(5)32(2)36(6)40(52)10/h11-30H,1-10H3
InChIKeyUWTJRXZTFVFZCL-UHFFFAOYSA-N
MW723.02 g/mol
LogP16.05
Rot. Bonds4

About 9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene

9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene (PubChem CID 21043379) has the molecular formula C56H50 and a molecular weight of 723.02 g/mol. Its IUPAC name is 9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene.

Molecular Properties

Compound Name9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene
PubChem CID21043379
Molecular FormulaC56H50
Molecular Weight723.02 g/mol
Exact Mass722.39
IUPAC Name9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene
SMILESCc1c(C)c(C)c(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5c(C)c(C)c(C)c(C)c5C)c5ccccc45)cc3)c3ccccc23)c(C)c1C
InChIInChI=1S/C56H50/c1-31-33(3)37(7)51(38(8)34(31)4)55-47-23-15-11-19-43(47)53(44-20-12-16-24-48(44)55)41-27-29-42(30-28-41)54-45-21-13-17-25-49(45)56(50-26-18-14-22-46(50)54)52-39(9)35(5)32(2)36(6)40(52)10/h11-30H,1-10H3
InChIKeyUWTJRXZTFVFZCL-UHFFFAOYSA-N
XLogP16.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.02
LogP ≤ 516.05
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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Related Compounds

2-[4-[9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracen-2-yl]phenyl]-9,10-bis(2,3,4,5,6-pentamethylphenyl)anthracene
CID 21043365
9-methyl-10-(4-methylphenyl)anthracene
CID 159479529
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9-[3,5-bis(4-methylphenyl)phenyl]-10-[10-[3,5-bis(4-methylphenyl)phenyl]anthracen-9-yl]anthracene
CID 123828708
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
9-(4-methylphenyl)-10-(4-tritiophenyl)anthracene
CID 58151376
9-methyl-10-[4-(4-methylphenyl)phenyl]phenanthrene
CID 159243819

Frequently Asked Questions

What is the IUPAC name of 9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene?
The IUPAC name of 9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene (CID 21043379) is 9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene.
What is the SMILES notation for 9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene?
The canonical SMILES for 9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene is Cc1c(C)c(C)c(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5c(C)c(C)c(C)c(C)c5C)c5ccccc45)cc3)c3ccccc23)c(C)c1C.
What is the InChIKey of 9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene?
The InChIKey is UWTJRXZTFVFZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50/c1-31-33(3)37(7)51(38(8)34(31)4)55-47-23-15-11-19-43(47)53(44-20-12-16-24-48(44)55)41-27-29-42(30-28-41)54-45-21-13-17-25-49(45)56(50-26-18-14-22-46(50)54)52-39(9)35(5)32(2)36(6)40(52)10/h11-30H,1-10H3.
What are the key properties of 9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene?
9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene has a molecular weight of 723.02 g/mol, XLogP of 16.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene is sourced from PubChem (CID 21043379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).