9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene

C74H68 — CID 59649072

IUPAC9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene
SMILESCc1ccccc1-c1c(-c2ccccc2C)c(-c2ccccc2C)c2c(c1-c1ccccc1C)C(C)(C)c1c(-c3ccccc3C)c(-c3ccccc3C)c(-c3ccccc3C)c(-c3ccccc3C)c1C2(C)C
InChIInChI=1S/C74H68/c1-45-29-13-21-37-53(45)61-62(54-38-22-14-30-46(54)2)66(58-42-26-18-34-50(58)6)70-69(65(61)57-41-25-17-33-49(57)5)73(9,10)71-67(59-43-27-19-35-51(59)7)63(55-39-23-15-31-47(55)3)64(56-40-24-16-32-48(56)4)68(72(71)74(70,11)12)60-44-28-20-36-52(60)8/h13-44H,1-12H3
InChIKeyAKLFABIOBWSHAO-UHFFFAOYSA-N
MW957.36 g/mol
LogP20.46
Rot. Bonds8

About 9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene

9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene (PubChem CID 59649072) has the molecular formula C74H68 and a molecular weight of 957.36 g/mol. Its IUPAC name is 9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene.

Molecular Properties

Compound Name9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene
PubChem CID59649072
Molecular FormulaC74H68
Molecular Weight957.36 g/mol
Exact Mass956.53
IUPAC Name9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene
SMILESCc1ccccc1-c1c(-c2ccccc2C)c(-c2ccccc2C)c2c(c1-c1ccccc1C)C(C)(C)c1c(-c3ccccc3C)c(-c3ccccc3C)c(-c3ccccc3C)c(-c3ccccc3C)c1C2(C)C
InChIInChI=1S/C74H68/c1-45-29-13-21-37-53(45)61-62(54-38-22-14-30-46(54)2)66(58-42-26-18-34-50(58)6)70-69(65(61)57-41-25-17-33-49(57)5)73(9,10)71-67(59-43-27-19-35-51(59)7)63(55-39-23-15-31-47(55)3)64(56-40-24-16-32-48(56)4)68(72(71)74(70,11)12)60-44-28-20-36-52(60)8/h13-44H,1-12H3
InChIKeyAKLFABIOBWSHAO-UHFFFAOYSA-N
XLogP20.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.36
LogP ≤ 520.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene?
The IUPAC name of 9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene (CID 59649072) is 9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene.
What is the SMILES notation for 9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene?
The canonical SMILES for 9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene is Cc1ccccc1-c1c(-c2ccccc2C)c(-c2ccccc2C)c2c(c1-c1ccccc1C)C(C)(C)c1c(-c3ccccc3C)c(-c3ccccc3C)c(-c3ccccc3C)c(-c3ccccc3C)c1C2(C)C.
What is the InChIKey of 9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene?
The InChIKey is AKLFABIOBWSHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H68/c1-45-29-13-21-37-53(45)61-62(54-38-22-14-30-46(54)2)66(58-42-26-18-34-50(58)6)70-69(65(61)57-41-25-17-33-49(57)5)73(9,10)71-67(59-43-27-19-35-51(59)7)63(55-39-23-15-31-47(55)3)64(56-40-24-16-32-48(56)4)68(72(71)74(70,11)12)60-44-28-20-36-52(60)8/h13-44H,1-12H3.
What are the key properties of 9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene?
9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene has a molecular weight of 957.36 g/mol, XLogP of 20.46, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10,10-tetramethyl-1,2,3,4,5,6,7,8-octakis(2-methylphenyl)anthracene is sourced from PubChem (CID 59649072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).