bis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane

C48H48Br4F2N2O2 — CID 158851751

IUPACbis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane
SMILESC.C.COc1cccc(CCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1.COc1cccc(CCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/2C23H20Br2FNO.2CH4/c2*1-28-19-4-2-3-15(11-19)5-8-18(26)14-27-22-9-6-16(24)12-20(22)21-13-17(25)7-10-23(21)27;;/h2*2-4,6-7,9-13,18H,5,8,14H2,1H3;2*1H4
InChIKeyIZNRDPZIDCEYGW-UHFFFAOYSA-N
MW1042.54 g/mol
LogP15.87
Rot. Bonds12

About bis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane

bis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane (PubChem CID 158851751) has the molecular formula C48H48Br4F2N2O2 and a molecular weight of 1042.54 g/mol. Its IUPAC name is bis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane.

Molecular Properties

Compound Namebis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane
PubChem CID158851751
Molecular FormulaC48H48Br4F2N2O2
Molecular Weight1042.54 g/mol
Exact Mass1038.04
IUPAC Namebis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane
SMILESC.C.COc1cccc(CCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1.COc1cccc(CCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/2C23H20Br2FNO.2CH4/c2*1-28-19-4-2-3-15(11-19)5-8-18(26)14-27-22-9-6-16(24)12-20(22)21-13-17(25)7-10-23(21)27;;/h2*2-4,6-7,9-13,18H,5,8,14H2,1H3;2*1H4
InChIKeyIZNRDPZIDCEYGW-UHFFFAOYSA-N
XLogP15.87
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001042.54
LogP ≤ 515.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-(3,6-dibromo-9H-carbazol-9-yl)-2-fluoropropyl)-3-methoxyaniline
CID 46853447
5-Bromo-2-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-methylindole
CID 44142436
2-(3-bromocarbazol-9-yl)-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 155537862
1-(6-bromo-9-ethylcarbazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 86298704
3-carbazol-9-yl-N-[2-[4-[2-[3-carbazol-9-ylpropyl(methyl)amino]ethyl]-2,5-dimethoxyphenyl]ethyl]-N-methylpropan-1-amine
CID 145956232
3,6-Dibromo-9-(4-methoxyphenyl)-9H-carbazole
CID 58620860
5-Bromo-2-(3,5-dimethoxyphenyl)-3-(3-methoxyphenyl)-1-methylindole
CID 44142445
5-Bromo-2-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-1-methylindole
CID 44142446
3-[6-Bromo-9-[(3-methoxyphenyl)methyl]carbazol-3-yl]benzenecarboximidamide
CID 155547418
1-(N-benzyl-3-methoxyanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 72696611
N-benzyl-N-[3-(3,6-dibromocarbazol-9-yl)-2-fluoropropyl]-3-methoxyaniline
CID 72696872
3,6-Dibromo-9-[2-fluoro-3-(3-methoxyphenoxy)propyl]carbazole
CID 72696876

Frequently Asked Questions

What is the IUPAC name of bis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane?
The IUPAC name of bis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane (CID 158851751) is bis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane.
What is the SMILES notation for bis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane?
The canonical SMILES for bis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane is C.C.COc1cccc(CCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1.COc1cccc(CCC(F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)c1.
What is the InChIKey of bis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane?
The InChIKey is IZNRDPZIDCEYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20Br2FNO.2CH4/c2*1-28-19-4-2-3-15(11-19)5-8-18(26)14-27-22-9-6-16(24)12-20(22)21-13-17(25)7-10-23(21)27;;/h2*2-4,6-7,9-13,18H,5,8,14H2,1H3;2*1H4.
What are the key properties of bis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane?
bis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane has a molecular weight of 1042.54 g/mol, XLogP of 15.87, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,6-dibromo-9-[2-fluoro-4-(3-methoxyphenyl)butyl]carbazole);methane is sourced from PubChem (CID 158851751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).