1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole

C72H72N6 — CID 58652162

IUPAC1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole
SMILESc1ccc2c(c1)ccn2C1CC(C2CC(C3CC(n4ccc5ccccc54)CC(n4ccc5ccccc54)C3)CC(n3ccc4ccccc43)C2)CC(C2CC(n3ccc4ccccc43)CC(n3ccc4ccccc43)C2)C1
InChIInChI=1S/C72H72N6/c1-7-19-67-49(13-1)25-31-73(67)61-39-55(37-57(41-61)59-43-63(75-33-27-51-15-3-9-21-69(51)75)47-64(44-59)76-34-28-52-16-4-10-22-70(52)76)56-38-58(42-62(40-56)74-32-26-50-14-2-8-20-68(50)74)60-45-65(77-35-29-53-17-5-11-23-71(53)77)48-66(46-60)78-36-30-54-18-6-12-24-72(54)78/h1-36,55-66H,37-48H2
InChIKeyMTMKIJFOVGAGNV-UHFFFAOYSA-N
MW1021.41 g/mol
LogP18.60
Rot. Bonds9

About 1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole

1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole (PubChem CID 58652162) has the molecular formula C72H72N6 and a molecular weight of 1021.41 g/mol. Its IUPAC name is 1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole.

Molecular Properties

Compound Name1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole
PubChem CID58652162
Molecular FormulaC72H72N6
Molecular Weight1021.41 g/mol
Exact Mass1020.58
IUPAC Name1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole
SMILESc1ccc2c(c1)ccn2C1CC(C2CC(C3CC(n4ccc5ccccc54)CC(n4ccc5ccccc54)C3)CC(n3ccc4ccccc43)C2)CC(C2CC(n3ccc4ccccc43)CC(n3ccc4ccccc43)C2)C1
InChIInChI=1S/C72H72N6/c1-7-19-67-49(13-1)25-31-73(67)61-39-55(37-57(41-61)59-43-63(75-33-27-51-15-3-9-21-69(51)75)47-64(44-59)76-34-28-52-16-4-10-22-70(52)76)56-38-58(42-62(40-56)74-32-26-50-14-2-8-20-68(50)74)60-45-65(77-35-29-53-17-5-11-23-71(53)77)48-66(46-60)78-36-30-54-18-6-12-24-72(54)78/h1-36,55-66H,37-48H2
InChIKeyMTMKIJFOVGAGNV-UHFFFAOYSA-N
XLogP18.60
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.41
LogP ≤ 518.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole?
The IUPAC name of 1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole (CID 58652162) is 1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole.
What is the SMILES notation for 1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole?
The canonical SMILES for 1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole is c1ccc2c(c1)ccn2C1CC(C2CC(C3CC(n4ccc5ccccc54)CC(n4ccc5ccccc54)C3)CC(n3ccc4ccccc43)C2)CC(C2CC(n3ccc4ccccc43)CC(n3ccc4ccccc43)C2)C1.
What is the InChIKey of 1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole?
The InChIKey is MTMKIJFOVGAGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H72N6/c1-7-19-67-49(13-1)25-31-73(67)61-39-55(37-57(41-61)59-43-63(75-33-27-51-15-3-9-21-69(51)75)47-64(44-59)76-34-28-52-16-4-10-22-70(52)76)56-38-58(42-62(40-56)74-32-26-50-14-2-8-20-68(50)74)60-45-65(77-35-29-53-17-5-11-23-71(53)77)48-66(46-60)78-36-30-54-18-6-12-24-72(54)78/h1-36,55-66H,37-48H2.
What are the key properties of 1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole?
1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole has a molecular weight of 1021.41 g/mol, XLogP of 18.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole is sourced from PubChem (CID 58652162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).