5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole

C34H26Cl2F2N2 — CID 20717002

IUPAC5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole
SMILESFc1ccc(-n2cc(C3(c4cn(-c5ccc(F)cc5)c5ccc(Cl)cc45)CCCCC3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C34H26Cl2F2N2/c35-22-4-14-32-28(18-22)30(20-39(32)26-10-6-24(37)7-11-26)34(16-2-1-3-17-34)31-21-40(27-12-8-25(38)9-13-27)33-15-5-23(36)19-29(31)33/h4-15,18-21H,1-3,16-17H2
InChIKeyUPJXBBGSSWZWNI-UHFFFAOYSA-N
MW571.50 g/mol
LogP10.41
Rot. Bonds4

About 5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole

5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole (PubChem CID 20717002) has the molecular formula C34H26Cl2F2N2 and a molecular weight of 571.50 g/mol. Its IUPAC name is 5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole.

Molecular Properties

Compound Name5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole
PubChem CID20717002
Molecular FormulaC34H26Cl2F2N2
Molecular Weight571.50 g/mol
Exact Mass570.14
IUPAC Name5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole
SMILESFc1ccc(-n2cc(C3(c4cn(-c5ccc(F)cc5)c5ccc(Cl)cc45)CCCCC3)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C34H26Cl2F2N2/c35-22-4-14-32-28(18-22)30(20-39(32)26-10-6-24(37)7-11-26)34(16-2-1-3-17-34)31-21-40(27-12-8-25(38)9-13-27)33-15-5-23(36)19-29(31)33/h4-15,18-21H,1-3,16-17H2
InChIKeyUPJXBBGSSWZWNI-UHFFFAOYSA-N
XLogP10.41
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.50
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole with MolForge

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Related Compounds

5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
CID 9862272
Dorastine
CID 30530
5-Chloro-1-(4-fluoro-phenyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 15648963
1H-Indole, 3,3'-methylenebis[5-chloro-
CID 9901435
[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-ylmethyl]-dimethyl-amine
CID 10518508
{3-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-propyl}-dimethyl-amine
CID 10544460
{2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 10734233
1-(4-Fluoro-phenyl)-3-{4-[3-(4-fluoro-phenyl)-8-aza-bicyclo[3.2.1]oct-2-en-8-yl]-butyl}-1H-indole
CID 15205887
5-Chloro-3-ethyl-1-(4-fluorophenyl)-1H-indole
CID 44297094
{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-butyl}-dimethyl-amine
CID 10497675
{2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 10829244
1-(2-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-3-phenyl-imidazolidin-2-one
CID 15006467

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole?
The IUPAC name of 5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole (CID 20717002) is 5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole.
What is the SMILES notation for 5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole?
The canonical SMILES for 5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole is Fc1ccc(-n2cc(C3(c4cn(-c5ccc(F)cc5)c5ccc(Cl)cc45)CCCCC3)c3cc(Cl)ccc32)cc1.
What is the InChIKey of 5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole?
The InChIKey is UPJXBBGSSWZWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26Cl2F2N2/c35-22-4-14-32-28(18-22)30(20-39(32)26-10-6-24(37)7-11-26)34(16-2-1-3-17-34)31-21-40(27-12-8-25(38)9-13-27)33-15-5-23(36)19-29(31)33/h4-15,18-21H,1-3,16-17H2.
What are the key properties of 5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole?
5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole has a molecular weight of 571.50 g/mol, XLogP of 10.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[1-[5-chloro-1-(4-fluorophenyl)indol-3-yl]cyclohexyl]-1-(4-fluorophenyl)indole is sourced from PubChem (CID 20717002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).