1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol

C29H26O — CID 139965297

IUPAC1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol
SMILESCC1=C(C)C(c2ccccc2-c2c(O)ccc3cc4ccccc4cc23)C(C)=C1C
InChIInChI=1S/C29H26O/c1-17-18(2)20(4)28(19(17)3)24-11-7-8-12-25(24)29-26-16-22-10-6-5-9-21(22)15-23(26)13-14-27(29)30/h5-16,28,30H,1-4H3
InChIKeyLZFVDBPGSAKNRZ-UHFFFAOYSA-N
MW390.53 g/mol
LogP8.14
Rot. Bonds2

About 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol

1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol (PubChem CID 139965297) has the molecular formula C29H26O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol.

Molecular Properties

Compound Name1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol
PubChem CID139965297
Molecular FormulaC29H26O
Molecular Weight390.53 g/mol
Exact Mass390.20
IUPAC Name1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol
SMILESCC1=C(C)C(c2ccccc2-c2c(O)ccc3cc4ccccc4cc23)C(C)=C1C
InChIInChI=1S/C29H26O/c1-17-18(2)20(4)28(19(17)3)24-11-7-8-12-25(24)29-26-16-22-10-6-5-9-21(22)15-23(26)13-14-27(29)30/h5-16,28,30H,1-4H3
InChIKeyLZFVDBPGSAKNRZ-UHFFFAOYSA-N
XLogP8.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 58.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol 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 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol?
The IUPAC name of 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol (CID 139965297) is 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol.
What is the SMILES notation for 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol?
The canonical SMILES for 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol is CC1=C(C)C(c2ccccc2-c2c(O)ccc3cc4ccccc4cc23)C(C)=C1C.
What is the InChIKey of 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol?
The InChIKey is LZFVDBPGSAKNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26O/c1-17-18(2)20(4)28(19(17)3)24-11-7-8-12-25(24)29-26-16-22-10-6-5-9-21(22)15-23(26)13-14-27(29)30/h5-16,28,30H,1-4H3.
What are the key properties of 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol?
1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol has a molecular weight of 390.53 g/mol, XLogP of 8.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)phenyl]anthracen-2-ol is sourced from PubChem (CID 139965297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).