1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol

C37H39N3O — CID 44522005

IUPAC1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)CN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C37H39N3O/c1-29-19-20-35-34(26-29)36(31-15-7-3-8-16-31)37(32-17-9-4-10-18-32)40(35)28-33(41)27-39-24-22-38(23-25-39)21-11-14-30-12-5-2-6-13-30/h2-20,26,33,41H,21-25,27-28H2,1H3
InChIKeySQHWUCVCWKDAIS-UHFFFAOYSA-N
MW541.74 g/mol
LogP6.98
Rot. Bonds9

About 1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol

1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol (PubChem CID 44522005) has the molecular formula C37H39N3O and a molecular weight of 541.74 g/mol. Its IUPAC name is 1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
PubChem CID44522005
Molecular FormulaC37H39N3O
Molecular Weight541.74 g/mol
Exact Mass541.31
IUPAC Name1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol
SMILESCc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)CN1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C37H39N3O/c1-29-19-20-35-34(26-29)36(31-15-7-3-8-16-31)37(32-17-9-4-10-18-32)40(35)28-33(41)27-39-24-22-38(23-25-39)21-11-14-30-12-5-2-6-13-30/h2-20,26,33,41H,21-25,27-28H2,1H3
InChIKeySQHWUCVCWKDAIS-UHFFFAOYSA-N
XLogP6.98
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.74
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

Avn-101
CID 42631003
9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
1-(9H-Carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol
CID 56212
1-(9H-carbazol-9-yl)-3-(naphthalen-1-ylamino)propan-2-ol
CID 2836198
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-phenylmethanesulfonamide
CID 2879611
1-(Cyclohexylamino)-3-(6-methyl-3,4-dihydro-1H-carbazol-9(2H)-YL)propan-2-OL
CID 961704
2,3,4,5-tetrahydro-2,8-dimethyl-5-(4-methylphenethyl)-1H-pyrido[4,3-b]indole
CID 44126269
2,8-Dimethyl-5-((Z)-styryl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46224879
1-[4-(3-Carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]ethanone
CID 2899994
1-(2,3-dimethyl-1H-indol-1-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 4229169
alpha-((Dipropylamino)methyl)-9H-carbazole-9-ethanol
CID 2802130
Carbazole-9-ethanol
CID 228287

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol (CID 44522005) is 1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol is Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2CC(O)CN1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol?
The InChIKey is SQHWUCVCWKDAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N3O/c1-29-19-20-35-34(26-29)36(31-15-7-3-8-16-31)37(32-17-9-4-10-18-32)40(35)28-33(41)27-39-24-22-38(23-25-39)21-11-14-30-12-5-2-6-13-30/h2-20,26,33,41H,21-25,27-28H2,1H3.
What are the key properties of 1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol?
1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol has a molecular weight of 541.74 g/mol, XLogP of 6.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-diphenylindol-1-yl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 44522005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).