2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol

C30H32Cl3NO — CID 6437380

💊View drug profile → lumefantrine
IUPAC2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1
InChIInChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(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-
InChIKeyDYLGFOYVTXJFJP-MYYYXRDXSA-N
MW528.95 g/mol
LogP9.15
Rot. Bonds10

About 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol

2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol (PubChem CID 6437380) has the molecular formula C30H32Cl3NO and a molecular weight of 528.95 g/mol. Its IUPAC name is 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol.

Molecular Properties

Compound Name2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
PubChem CID6437380
Molecular FormulaC30H32Cl3NO
Molecular Weight528.95 g/mol
Exact Mass527.15
IUPAC Name2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1
InChIInChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(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-
InChIKeyDYLGFOYVTXJFJP-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)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol with MolForge

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Related Compounds

(Z)-2-(Dibutylamino)-1-(2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl)ethanol
CID 108031
(9E)-Lumefantrine
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
1-(6-Chloronaphthalen-1-yl)-2-(dibutylamino)ethan-1-ol
CID 50626
Desbutyllumefantrine
CID 9934522
2-(Dibutylamino)-1-[5,7-dichloro-3-(4-chlorophenyl)naphthalen-1-yl]ethanol;hydrochloride
CID 12475915
1-[3-Chloro-6-(3,4-dichlorophenyl)naphthalen-1-yl]-2-(dibutylamino)ethanol
CID 155511155
alpha-n-Butylaminomethyl-6-chloro-3-[4-chlorophenyl]-1-naphthalenemethanol
CID 559385
1-[2-Dibutylamino-1-hydroxyethyl]-6,7-dichlorophenanthrene
CID 588367
2,7-Dichloro-alpha-((dibutylamino)methyl)-9H-fluorene-4-methanol
CID 432287
1H-Indene-5-methanol, 2,3-dihydro-alpha-(1-((4-(4-chlorophenyl)butyl)amino)ethyl)-
CID 3048807

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol?
The IUPAC name of 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol (CID 6437380) is 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol.
What is the SMILES notation for 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol?
The canonical SMILES for 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol is CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1.
What is the InChIKey of 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol?
The InChIKey is DYLGFOYVTXJFJP-MYYYXRDXSA-N. The full InChI is InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(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)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol?
2-(dibutylamino)-1-[(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)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]fluoren-4-yl]ethanol is sourced from PubChem (CID 6437380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).