1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile

C81H85N9O3 — CID 146474538

IUPAC1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cccc3c1C=CC(C)(C)N3)cn2C1CCC(Oc2ccc(-c3cn(C4CCC(Oc5ccc(-c6cn(C7CCC(O)CC7)c7cc(C)c(C#N)cc67)c6c5NC(C)(C)CC6)CC4)c4cc(C)c(C#N)cc34)c3c2NC(C)(C)C=C3)CC1
InChIInChI=1S/C81H85N9O3/c1-47-35-72-65(38-50(47)41-82)68(59-11-10-12-71-62(59)29-32-79(4,5)85-71)44-89(72)54-15-21-57(22-16-54)92-76-28-26-61(64-31-34-81(8,9)87-78(64)76)70-46-90(74-37-49(3)52(43-84)40-67(70)74)55-17-23-58(24-18-55)93-75-27-25-60(63-30-33-80(6,7)86-77(63)75)69-45-88(53-13-19-56(91)20-14-53)73-36-48(2)51(42-83)39-66(69)73/h10-12,25-29,31-32,34-40,44-46,53-58,85-87,91H,13-24,30,33H2,1-9H3
InChIKeyFTLIBIKELIGUSX-UHFFFAOYSA-N
MW1232.63 g/mol
LogP19.26
Rot. Bonds10

About 1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile

1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile (PubChem CID 146474538) has the molecular formula C81H85N9O3 and a molecular weight of 1232.63 g/mol. Its IUPAC name is 1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile.

Molecular Properties

Compound Name1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile
PubChem CID146474538
Molecular FormulaC81H85N9O3
Molecular Weight1232.63 g/mol
Exact Mass1231.68
IUPAC Name1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cccc3c1C=CC(C)(C)N3)cn2C1CCC(Oc2ccc(-c3cn(C4CCC(Oc5ccc(-c6cn(C7CCC(O)CC7)c7cc(C)c(C#N)cc67)c6c5NC(C)(C)CC6)CC4)c4cc(C)c(C#N)cc34)c3c2NC(C)(C)C=C3)CC1
InChIInChI=1S/C81H85N9O3/c1-47-35-72-65(38-50(47)41-82)68(59-11-10-12-71-62(59)29-32-79(4,5)85-71)44-89(72)54-15-21-57(22-16-54)92-76-28-26-61(64-31-34-81(8,9)87-78(64)76)70-46-90(74-37-49(3)52(43-84)40-67(70)74)55-17-23-58(24-18-55)93-75-27-25-60(63-30-33-80(6,7)86-77(63)75)69-45-88(53-13-19-56(91)20-14-53)73-36-48(2)51(42-83)39-66(69)73/h10-12,25-29,31-32,34-40,44-46,53-58,85-87,91H,13-24,30,33H2,1-9H3
InChIKeyFTLIBIKELIGUSX-UHFFFAOYSA-N
XLogP19.26
TPSA160.94 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001232.63
LogP ≤ 519.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile?
The IUPAC name of 1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile (CID 146474538) is 1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile.
What is the SMILES notation for 1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile?
The canonical SMILES for 1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile is Cc1cc2c(cc1C#N)c(-c1cccc3c1C=CC(C)(C)N3)cn2C1CCC(Oc2ccc(-c3cn(C4CCC(Oc5ccc(-c6cn(C7CCC(O)CC7)c7cc(C)c(C#N)cc67)c6c5NC(C)(C)CC6)CC4)c4cc(C)c(C#N)cc34)c3c2NC(C)(C)C=C3)CC1.
What is the InChIKey of 1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile?
The InChIKey is FTLIBIKELIGUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H85N9O3/c1-47-35-72-65(38-50(47)41-82)68(59-11-10-12-71-62(59)29-32-79(4,5)85-71)44-89(72)54-15-21-57(22-16-54)92-76-28-26-61(64-31-34-81(8,9)87-78(64)76)70-46-90(74-37-49(3)52(43-84)40-67(70)74)55-17-23-58(24-18-55)93-75-27-25-60(63-30-33-80(6,7)86-77(63)75)69-45-88(53-13-19-56(91)20-14-53)73-36-48(2)51(42-83)39-66(69)73/h10-12,25-29,31-32,34-40,44-46,53-58,85-87,91H,13-24,30,33H2,1-9H3.
What are the key properties of 1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile?
1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile has a molecular weight of 1232.63 g/mol, XLogP of 19.26, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-[5-cyano-1-[4-[[5-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-quinolin-8-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-quinolin-8-yl]oxy]cyclohexyl]-3-(2,2-dimethyl-1H-quinolin-5-yl)-6-methylindole-5-carbonitrile is sourced from PubChem (CID 146474538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).