1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one

C62H80N6O8 — CID 147279246

IUPAC1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc2c(c1)c1cc(C(=O)C(C)(C)N3CCOCC3)ccc1n2CCCCCCn1c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21)N1CCOCC1
InChIInChI=1S/C62H80N6O8/c1-59(2,63-23-31-73-32-24-63)55(69)43-13-17-51-47(39-43)48-40-44(56(70)60(3,4)64-25-33-74-34-26-64)14-18-52(48)67(51)21-11-9-10-12-22-68-53-19-15-45(57(71)61(5,6)65-27-35-75-36-28-65)41-49(53)50-42-46(16-20-54(50)68)58(72)62(7,8)66-29-37-76-38-30-66/h13-20,39-42H,9-12,21-38H2,1-8H3
InChIKeyCRYVYTJOLVZQQA-UHFFFAOYSA-N
MW1037.36 g/mol
LogP9.34
Rot. Bonds19

About 1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one

1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 147279246) has the molecular formula C62H80N6O8 and a molecular weight of 1037.36 g/mol. Its IUPAC name is 1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID147279246
Molecular FormulaC62H80N6O8
Molecular Weight1037.36 g/mol
Exact Mass1036.60
IUPAC Name1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc2c(c1)c1cc(C(=O)C(C)(C)N3CCOCC3)ccc1n2CCCCCCn1c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21)N1CCOCC1
InChIInChI=1S/C62H80N6O8/c1-59(2,63-23-31-73-32-24-63)55(69)43-13-17-51-47(39-43)48-40-44(56(70)60(3,4)64-25-33-74-34-26-64)14-18-52(48)67(51)21-11-9-10-12-22-68-53-19-15-45(57(71)61(5,6)65-27-35-75-36-28-65)41-49(53)50-42-46(16-20-54(50)68)58(72)62(7,8)66-29-37-76-38-30-66/h13-20,39-42H,9-12,21-38H2,1-8H3
InChIKeyCRYVYTJOLVZQQA-UHFFFAOYSA-N
XLogP9.34
TPSA128.02 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001037.36
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[6-(2-methyl-2-morpholin-4-ylpropanoyl)-9-octylcarbazol-3-yl]-2-morpholin-4-ylpropan-1-one
CID 4175151
1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 147554398
9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid
CID 53342508
[(Z)-[1-chloro-2-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-oxoethylidene]amino] acetate
CID 162463656
[(E)-[1-[9-ethyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-1-oxo-5-sulfanylpentan-2-ylidene]amino] heptanoate
CID 162463671
2-methyl-1-[8-(2-methyl-2-morpholin-4-ylpropanoyl)thianthren-2-yl]-2-morpholin-4-ylpropan-1-one
CID 23325710
2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one
CID 54422455
2-methyl-2-morpholin-4-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 19879459
1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044890
1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866996
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
2-(2-methyl-2-morpholin-4-ylpropanoyl)fluoren-9-one
CID 19879395

Frequently Asked Questions

What is the IUPAC name of 1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one (CID 147279246) is 1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one is CC(C)(C(=O)c1ccc2c(c1)c1cc(C(=O)C(C)(C)N3CCOCC3)ccc1n2CCCCCCn1c2ccc(C(=O)C(C)(C)N3CCOCC3)cc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21)N1CCOCC1.
What is the InChIKey of 1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is CRYVYTJOLVZQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H80N6O8/c1-59(2,63-23-31-73-32-24-63)55(69)43-13-17-51-47(39-43)48-40-44(56(70)60(3,4)64-25-33-74-34-26-64)14-18-52(48)67(51)21-11-9-10-12-22-68-53-19-15-45(57(71)61(5,6)65-27-35-75-36-28-65)41-49(53)50-42-46(16-20-54(50)68)58(72)62(7,8)66-29-37-76-38-30-66/h13-20,39-42H,9-12,21-38H2,1-8H3.
What are the key properties of 1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one?
1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 1037.36 g/mol, XLogP of 9.34, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[6-[3,6-bis(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-9-yl]hexyl]-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 147279246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).