9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene

C42H36 — CID 59649029

IUPAC9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene
SMILESCC1(C)c2cc(-c3ccccc3)c(-c3ccccc3)cc2C(C)(C)c2cc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C42H36/c1-41(2)37-25-33(29-17-9-5-10-18-29)35(31-21-13-7-14-22-31)27-39(37)42(3,4)40-28-36(32-23-15-8-16-24-32)34(26-38(40)41)30-19-11-6-12-20-30/h5-28H,1-4H3
InChIKeyAFPDXCYVBRLZOD-UHFFFAOYSA-N
MW540.75 g/mol
LogP11.32
Rot. Bonds4

About 9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene

9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene (PubChem CID 59649029) has the molecular formula C42H36 and a molecular weight of 540.75 g/mol. Its IUPAC name is 9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene.

Molecular Properties

Compound Name9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene
PubChem CID59649029
Molecular FormulaC42H36
Molecular Weight540.75 g/mol
Exact Mass540.28
IUPAC Name9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene
SMILESCC1(C)c2cc(-c3ccccc3)c(-c3ccccc3)cc2C(C)(C)c2cc(-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C42H36/c1-41(2)37-25-33(29-17-9-5-10-18-29)35(31-21-13-7-14-22-31)27-39(37)42(3,4)40-28-36(32-23-15-8-16-24-32)34(26-38(40)41)30-19-11-6-12-20-30/h5-28H,1-4H3
InChIKeyAFPDXCYVBRLZOD-UHFFFAOYSA-N
XLogP11.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.75
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene?
The IUPAC name of 9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene (CID 59649029) is 9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene.
What is the SMILES notation for 9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene?
The canonical SMILES for 9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene is CC1(C)c2cc(-c3ccccc3)c(-c3ccccc3)cc2C(C)(C)c2cc(-c3ccccc3)c(-c3ccccc3)cc21.
What is the InChIKey of 9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene?
The InChIKey is AFPDXCYVBRLZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36/c1-41(2)37-25-33(29-17-9-5-10-18-29)35(31-21-13-7-14-22-31)27-39(37)42(3,4)40-28-36(32-23-15-8-16-24-32)34(26-38(40)41)30-19-11-6-12-20-30/h5-28H,1-4H3.
What are the key properties of 9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene?
9,9,10,10-tetramethyl-2,3,6,7-tetraphenylanthracene has a molecular weight of 540.75 g/mol, XLogP of 11.32, 4 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-2,3,6,7-tetraphenylanthracene is sourced from PubChem (CID 59649029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).