(4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol

C31H24O — CID 86338505

IUPAC(4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol
SMILESC[C@@H](C#CC(O)(c1ccccc1)c1ccccc1)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C31H24O/c1-23(24-16-17-27-21-25-10-8-9-11-26(25)22-28(27)20-24)18-19-31(32,29-12-4-2-5-13-29)30-14-6-3-7-15-30/h2-17,20-23,32H,1H3/t23-/m0/s1
InChIKeyITVMIASCSFHJJJ-QHCPKHFHSA-N
MW412.53 g/mol
LogP7.04
Rot. Bonds3

About (4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol

(4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol (PubChem CID 86338505) has the molecular formula C31H24O and a molecular weight of 412.53 g/mol. Its IUPAC name is (4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol.

Molecular Properties

Compound Name(4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol
PubChem CID86338505
Molecular FormulaC31H24O
Molecular Weight412.53 g/mol
Exact Mass412.18
IUPAC Name(4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol
SMILESC[C@@H](C#CC(O)(c1ccccc1)c1ccccc1)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C31H24O/c1-23(24-16-17-27-21-25-10-8-9-11-26(25)22-28(27)20-24)18-19-31(32,29-12-4-2-5-13-29)30-14-6-3-7-15-30/h2-17,20-23,32H,1H3/t23-/m0/s1
InChIKeyITVMIASCSFHJJJ-QHCPKHFHSA-N
XLogP7.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-propan-2-ylpentacene
CID 153380535
5,5-dimethyl-1,1-diphenylhex-2-yne-1,4-diol
CID 71489134
anthracen-2-yl(phenyl)methanol
CID 15685338
ethane;2-propan-2-ylnaphthalene
CID 142226111
2,9-di(propan-2-yl)pentacene
CID 153380534
N-methyl-N-(1-naphthalen-2-ylethyl)hydroxylamine
CID 134925805
anthracene;2-methylpropane
CID 142471530
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
2-(2,3-dimethylbutan-2-yl)anthracene
CID 173439325
(2R,3R)-3-methyl-2-naphthalen-2-ylhex-5-yn-3-ol
CID 178185600
1-(4-methoxyphenyl)-1,3-diphenylprop-2-yn-1-ol
CID 2931271
1-naphthalen-2-ylethanamine
CID 3857145

Frequently Asked Questions

What is the IUPAC name of (4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol?
The IUPAC name of (4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol (CID 86338505) is (4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol.
What is the SMILES notation for (4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol?
The canonical SMILES for (4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol is C[C@@H](C#CC(O)(c1ccccc1)c1ccccc1)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of (4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol?
The InChIKey is ITVMIASCSFHJJJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C31H24O/c1-23(24-16-17-27-21-25-10-8-9-11-26(25)22-28(27)20-24)18-19-31(32,29-12-4-2-5-13-29)30-14-6-3-7-15-30/h2-17,20-23,32H,1H3/t23-/m0/s1.
What are the key properties of (4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol?
(4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol has a molecular weight of 412.53 g/mol, XLogP of 7.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-anthracen-2-yl-1,1-diphenylpent-2-yn-1-ol is sourced from PubChem (CID 86338505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).