1,4,8,11-tetramethylpentacen-6-ol

C26H22O — CID 141185126

IUPAC1,4,8,11-tetramethylpentacen-6-ol
SMILESCc1ccc(C)c2cc3c(O)c4cc5c(C)ccc(C)c5cc4cc3cc12
InChIInChI=1S/C26H22O/c1-14-5-7-16(3)22-12-24-18(10-20(14)22)9-19-11-21-15(2)6-8-17(4)23(21)13-25(19)26(24)27/h5-13,27H,1-4H3
InChIKeyKSUGFTZAHYSZGA-UHFFFAOYSA-N
MW350.46 g/mol
LogP7.24
Rot. Bonds

About 1,4,8,11-tetramethylpentacen-6-ol

1,4,8,11-tetramethylpentacen-6-ol (PubChem CID 141185126) has the molecular formula C26H22O and a molecular weight of 350.46 g/mol. Its IUPAC name is 1,4,8,11-tetramethylpentacen-6-ol.

Molecular Properties

Compound Name1,4,8,11-tetramethylpentacen-6-ol
PubChem CID141185126
Molecular FormulaC26H22O
Molecular Weight350.46 g/mol
Exact Mass350.17
IUPAC Name1,4,8,11-tetramethylpentacen-6-ol
SMILESCc1ccc(C)c2cc3c(O)c4cc5c(C)ccc(C)c5cc4cc3cc12
InChIInChI=1S/C26H22O/c1-14-5-7-16(3)22-12-24-18(10-20(14)22)9-19-11-21-15(2)6-8-17(4)23(21)13-25(19)26(24)27/h5-13,27H,1-4H3
InChIKeyKSUGFTZAHYSZGA-UHFFFAOYSA-N
XLogP7.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4,8,11-tetramethylpentacen-6-ol?
The IUPAC name of 1,4,8,11-tetramethylpentacen-6-ol (CID 141185126) is 1,4,8,11-tetramethylpentacen-6-ol.
What is the SMILES notation for 1,4,8,11-tetramethylpentacen-6-ol?
The canonical SMILES for 1,4,8,11-tetramethylpentacen-6-ol is Cc1ccc(C)c2cc3c(O)c4cc5c(C)ccc(C)c5cc4cc3cc12.
What is the InChIKey of 1,4,8,11-tetramethylpentacen-6-ol?
The InChIKey is KSUGFTZAHYSZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O/c1-14-5-7-16(3)22-12-24-18(10-20(14)22)9-19-11-21-15(2)6-8-17(4)23(21)13-25(19)26(24)27/h5-13,27H,1-4H3.
What are the key properties of 1,4,8,11-tetramethylpentacen-6-ol?
1,4,8,11-tetramethylpentacen-6-ol has a molecular weight of 350.46 g/mol, XLogP of 7.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8,11-tetramethylpentacen-6-ol is sourced from PubChem (CID 141185126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).