(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'}

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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).