5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole

C38H28Cl4N4 — CID 139229716

IUPAC5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole
SMILESClc1ccc2[nH]cc(C3(c4c[nH]c5ccc(Cl)cc45)CCC(c4c[nH]c5ccc(Cl)cc45)(c4c[nH]c5ccc(Cl)cc45)CC3)c2c1
InChIInChI=1S/C38H28Cl4N4/c39-21-1-5-33-25(13-21)29(17-43-33)37(30-18-44-34-6-2-22(40)14-26(30)34)9-11-38(12-10-37,31-19-45-35-7-3-23(41)15-27(31)35)32-20-46-36-8-4-24(42)16-28(32)36/h1-8,13-20,43-46H,9-12H2
InChIKeyZPRSEDVNPVWKFK-UHFFFAOYSA-N
MW682.48 g/mol
LogP12.07
Rot. Bonds4

About 5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole

5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole (PubChem CID 139229716) has the molecular formula C38H28Cl4N4 and a molecular weight of 682.48 g/mol. Its IUPAC name is 5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole
PubChem CID139229716
Molecular FormulaC38H28Cl4N4
Molecular Weight682.48 g/mol
Exact Mass680.11
IUPAC Name5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole
SMILESClc1ccc2[nH]cc(C3(c4c[nH]c5ccc(Cl)cc45)CCC(c4c[nH]c5ccc(Cl)cc45)(c4c[nH]c5ccc(Cl)cc45)CC3)c2c1
InChIInChI=1S/C38H28Cl4N4/c39-21-1-5-33-25(13-21)29(17-43-33)37(30-18-44-34-6-2-22(40)14-26(30)34)9-11-38(12-10-37,31-19-45-35-7-3-23(41)15-27(31)35)32-20-46-36-8-4-24(42)16-28(32)36/h1-8,13-20,43-46H,9-12H2
InChIKeyZPRSEDVNPVWKFK-UHFFFAOYSA-N
XLogP12.07
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.48
LogP ≤ 512.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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

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Related Compounds

3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
CID 5302583
6-chloro-2(1H-indol-3-yl)-4-phenyl-quinoline
CID 54613196
1H-Indole, 3,3'-methylenebis[5-chloro-
CID 9901435
5-Chloro-3-[cis-4-[4-(1H-indol-4-yl)-1-piperazinyl]-cyclohexyl]-1H-indole
CID 10113692
5-Chloro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-1H-indole
CID 10340978
3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-chloro-1H-indole
CID 44413379
5-chloro-3-[6-(5-chloro-1H-indol-3-yl)pyridazin-3-yl]-1H-indole
CID 134399462
5-chloro-3-[5-(5-chloro-1H-indol-3-yl)pyrazin-2-yl]-1H-indole
CID 134816916
1,4-Bis(di(1h-indol-3-yl)methyl)benzene
CID 15637613
Lynamicin C
CID 11385005
Indimicin B
CID 86342739
6-chloro-2-[(Z)-4-(6-chloro-9H-pyrido[3,4-b]indol-2-ium-2-yl)but-2-enyl]-9H-pyrido[3,4-b]indol-2-ium dichloride
CID 44578489

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole?
The IUPAC name of 5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole (CID 139229716) is 5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole.
What is the SMILES notation for 5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole?
The canonical SMILES for 5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole is Clc1ccc2[nH]cc(C3(c4c[nH]c5ccc(Cl)cc45)CCC(c4c[nH]c5ccc(Cl)cc45)(c4c[nH]c5ccc(Cl)cc45)CC3)c2c1.
What is the InChIKey of 5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole?
The InChIKey is ZPRSEDVNPVWKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28Cl4N4/c39-21-1-5-33-25(13-21)29(17-43-33)37(30-18-44-34-6-2-22(40)14-26(30)34)9-11-38(12-10-37,31-19-45-35-7-3-23(41)15-27(31)35)32-20-46-36-8-4-24(42)16-28(32)36/h1-8,13-20,43-46H,9-12H2.
What are the key properties of 5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole?
5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole has a molecular weight of 682.48 g/mol, XLogP of 12.07, 4 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole is sourced from PubChem (CID 139229716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).