2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol

C30H32Cl3NO — CID 71315944

IUPAC2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
SMILESCCCCN(CCCC)C(CO)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1
InChIInChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)29(19-35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-
InChIKeyAGQOFEQBDUCCRH-MYYYXRDXSA-N
MW528.95 g/mol
LogP9.15
Rot. Bonds10

About 2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol

2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol (PubChem CID 71315944) has the molecular formula C30H32Cl3NO and a molecular weight of 528.95 g/mol. Its IUPAC name is 2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol.

Molecular Properties

Compound Name2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
PubChem CID71315944
Molecular FormulaC30H32Cl3NO
Molecular Weight528.95 g/mol
Exact Mass527.15
IUPAC Name2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
SMILESCCCCN(CCCC)C(CO)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1
InChIInChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)29(19-35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-
InChIKeyAGQOFEQBDUCCRH-MYYYXRDXSA-N
XLogP9.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.95
LogP ≤ 59.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol with MolForge

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Related Compounds

Lumefantrine
CID 6437380
(Z)-2-(Dibutylamino)-1-(2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl)ethanol
CID 108031
2-(Dibutylamino)-1-(2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl)ethanol
CID 5311253
1-[(9Z)-9-benzylidene-2,7-dichlorofluoren-4-yl]-2-(dibutylamino)ethanol
CID 168297006
(1R)-2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
CID 73416446
Desbutyllumefantrine
CID 9934522
2,7-Dichloro-alpha-((dibutylamino)methyl)-9H-fluorene-4-methanol
CID 432287
[(1S,3S)-7-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-3-yl]methanol
CID 168294260
2-(butylamino)-1-(2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl)ethan-1-ol
CID 69904961
2,7-Dichloro-I+--((dibutylamino)methyl)-9H-fluorene-4-methanol hydrochloride
CID 24198837
2-(Butylamino)-1-{(9E)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl}ethan-1-ol
CID 18348146
2-Dibutylamino-1-(2,7-dichloro-9H-fluoren-4-yl)ethanol
CID 86306123

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol?
The IUPAC name of 2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol (CID 71315944) is 2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol.
What is the SMILES notation for 2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol?
The canonical SMILES for 2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol is CCCCN(CCCC)C(CO)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1.
What is the InChIKey of 2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol?
The InChIKey is AGQOFEQBDUCCRH-MYYYXRDXSA-N. The full InChI is InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)29(19-35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-.
What are the key properties of 2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol?
2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol has a molecular weight of 528.95 g/mol, XLogP of 9.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-2-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol is sourced from PubChem (CID 71315944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).