2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile

C84H80N10O5 — CID 162234091

IUPAC2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2cccc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)cc1C#N.Cc1ccc(-c2cccc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)cc1C#N.N#Cc1cc(-c2cccc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1CN1CCOCC1
InChIInChI=1S/C30H30N4O2.C28H27N3O2.C26H23N3O/c31-20-25-18-23(4-5-24(25)21-33-10-14-35-15-11-33)27-2-1-3-29-28(27)19-30(32-29)22-6-8-26(9-7-22)34-12-16-36-17-13-34;1-19(2)33-28-11-8-21(16-22(28)18-29)24-4-3-5-26-25(24)17-27(30-26)20-6-9-23(10-7-20)31-12-14-32-15-13-31;1-18-5-6-20(15-21(18)17-27)23-3-2-4-25-24(23)16-26(28-25)19-7-9-22(10-8-19)29-11-13-30-14-12-29/h1-9,18-19,32H,10-17,21H2;3-11,16-17,19,30H,12-15H2,1-2H3;2-10,15-16,28H,11-14H2,1H3
InChIKeyZVVHBOKMJOASNZ-UHFFFAOYSA-N
MW1309.63 g/mol
LogP16.56
Rot. Bonds13

About 2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile

2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile (PubChem CID 162234091) has the molecular formula C84H80N10O5 and a molecular weight of 1309.63 g/mol. Its IUPAC name is 2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile
PubChem CID162234091
Molecular FormulaC84H80N10O5
Molecular Weight1309.63 g/mol
Exact Mass1308.63
IUPAC Name2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1ccc(-c2cccc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)cc1C#N.Cc1ccc(-c2cccc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)cc1C#N.N#Cc1cc(-c2cccc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1CN1CCOCC1
InChIInChI=1S/C30H30N4O2.C28H27N3O2.C26H23N3O/c31-20-25-18-23(4-5-24(25)21-33-10-14-35-15-11-33)27-2-1-3-29-28(27)19-30(32-29)22-6-8-26(9-7-22)34-12-16-36-17-13-34;1-19(2)33-28-11-8-21(16-22(28)18-29)24-4-3-5-26-25(24)17-27(30-26)20-6-9-23(10-7-20)31-12-14-32-15-13-31;1-18-5-6-20(15-21(18)17-27)23-3-2-4-25-24(23)16-26(28-25)19-7-9-22(10-8-19)29-11-13-30-14-12-29/h1-9,18-19,32H,10-17,21H2;3-11,16-17,19,30H,12-15H2,1-2H3;2-10,15-16,28H,11-14H2,1H3
InChIKeyZVVHBOKMJOASNZ-UHFFFAOYSA-N
XLogP16.56
TPSA177.85 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001309.63
LogP ≤ 516.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile with MolForge

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Related Compounds

5-[5-fluoro-2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 118551819
5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
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2-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]oxy-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile
CID 118551903
5-[5-fluoro-2-(3-methoxy-4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 118552170
5-[5-fluoro-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 118552171
5,10,15,20-Tetra-{4-[2-(1-methyl-1-piperidinyl)ethoxy]phenyl} porphyrin
CID 155803633
(Z)-3-[4-[(Z)-2-[7-[(Z)-1-cyano-2-[4-[(Z)-2-isocyanoprop-1-enyl]-2-methyl-5-octoxyphenyl]ethenyl]-9-octylcarbazol-2-yl]-2-isocyanoethenyl]-2,5-bis(N-phenylanilino)phenyl]-2-(7-methyl-9-octylcarbazol-2-yl)prop-2-enenitrile
CID 58937438
4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]-N,N-bis[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]aniline
CID 87256575
1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole
CID 87484891
N-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]-N-[4-[4-(9H-carbazol-3-yl)phenyl]phenyl]naphthalen-1-amine
CID 117795934
tert-butyl (3S)-3-[2-cyano-4-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]phenoxy]pyrrolidine-1-carboxylate
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5-[2-[4-[4-(2-cyanoacetyl)piperazin-1-yl]phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile
CID 118551809

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile?
The IUPAC name of 2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile (CID 162234091) is 2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile.
What is the SMILES notation for 2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile?
The canonical SMILES for 2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile is CC(C)Oc1ccc(-c2cccc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)cc1C#N.Cc1ccc(-c2cccc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)cc1C#N.N#Cc1cc(-c2cccc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1CN1CCOCC1.
What is the InChIKey of 2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile?
The InChIKey is ZVVHBOKMJOASNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2.C28H27N3O2.C26H23N3O/c31-20-25-18-23(4-5-24(25)21-33-10-14-35-15-11-33)27-2-1-3-29-28(27)19-30(32-29)22-6-8-26(9-7-22)34-12-16-36-17-13-34;1-19(2)33-28-11-8-21(16-22(28)18-29)24-4-3-5-26-25(24)17-27(30-26)20-6-9-23(10-7-20)31-12-14-32-15-13-31;1-18-5-6-20(15-21(18)17-27)23-3-2-4-25-24(23)16-26(28-25)19-7-9-22(10-8-19)29-11-13-30-14-12-29/h1-9,18-19,32H,10-17,21H2;3-11,16-17,19,30H,12-15H2,1-2H3;2-10,15-16,28H,11-14H2,1H3.
What are the key properties of 2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile?
2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile has a molecular weight of 1309.63 g/mol, XLogP of 16.56, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;2-(morpholin-4-ylmethyl)-5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-propan-2-yloxybenzonitrile is sourced from PubChem (CID 162234091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).