9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride

C23H27ClNO- — CID 53347287

IUPAC9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride
SMILESCC(C)N(CC#CCC1(O)c2ccccc2-c2ccccc21)C(C)C.[Cl-]
InChIInChI=1S/C23H27NO.ClH/c1-17(2)24(18(3)4)16-10-9-15-23(25)21-13-7-5-11-19(21)20-12-6-8-14-22(20)23;/h5-8,11-14,17-18,25H,15-16H2,1-4H3;1H/p-1
InChIKeyVPIZRNMEZYIWDV-UHFFFAOYSA-M
MW368.93 g/mol
LogP1.42
Rot. Bonds4

About 9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride

9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride (PubChem CID 53347287) has the molecular formula C23H27ClNO- and a molecular weight of 368.93 g/mol. Its IUPAC name is 9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride.

Molecular Properties

Compound Name9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride
PubChem CID53347287
Molecular FormulaC23H27ClNO-
Molecular Weight368.93 g/mol
Exact Mass368.18
IUPAC Name9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride
SMILESCC(C)N(CC#CCC1(O)c2ccccc2-c2ccccc21)C(C)C.[Cl-]
InChIInChI=1S/C23H27NO.ClH/c1-17(2)24(18(3)4)16-10-9-15-23(25)21-13-7-5-11-19(21)20-12-6-8-14-22(20)23;/h5-8,11-14,17-18,25H,15-16H2,1-4H3;1H/p-1
InChIKeyVPIZRNMEZYIWDV-UHFFFAOYSA-M
XLogP1.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride?
The IUPAC name of 9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride (CID 53347287) is 9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride.
What is the SMILES notation for 9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride?
The canonical SMILES for 9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride is CC(C)N(CC#CCC1(O)c2ccccc2-c2ccccc21)C(C)C.[Cl-].
What is the InChIKey of 9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride?
The InChIKey is VPIZRNMEZYIWDV-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H27NO.ClH/c1-17(2)24(18(3)4)16-10-9-15-23(25)21-13-7-5-11-19(21)20-12-6-8-14-22(20)23;/h5-8,11-14,17-18,25H,15-16H2,1-4H3;1H/p-1.
What are the key properties of 9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride?
9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride has a molecular weight of 368.93 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[di(propan-2-yl)amino]but-2-ynyl]fluoren-9-ol chloride is sourced from PubChem (CID 53347287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).