tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(2,2-dimethylpropyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[2,2-dimethylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl]amino]methyl]-4-[9-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]carbazol-3-yl]-2-pyridinyl]methyl-(2,2-dimethylpropyl)amino]acetate

C94H128N10O10 — CID 126725975

About tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(2,2-dimethylpropyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[2,2-dimethylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl]amino]methyl]-4-[9-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]carbazol-3-yl]-2-pyridinyl]methyl-(2,2-dimethylpropyl)amino]acetate

tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(2,2-dimethylpropyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[2,2-dimethylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl]amino]methyl]-4-[9-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]carbazol-3-yl]-2-pyridinyl]methyl-(2,2-dimethylpropyl)amino]acetate (PubChem CID 126725975) has the molecular formula C94H128N10O10 and a molecular weight of 1558.12 g/mol. Its IUPAC name is tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(2,2-dimethylpropyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[2,2-dimethylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl]amino]methyl]-4-[9-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]carbazol-3-yl]-2-pyridinyl]methyl-(2,2-dimethylpropyl)amino]acetate.

Molecular Properties

• Compound Name: tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(2,2-dimethylpropyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[2,2-dimethylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl]amino]methyl]-4-[9-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]carbazol-3-yl]-2-pyridinyl]methyl-(2,2-dimethylpropyl)amino]acetate
• PubChem CID: 126725975
• Molecular Formula: C94H128N10O10
• Molecular Weight: 1558.12 g/mol
• Exact Mass: 1556.98
• IUPAC Name: tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(2,2-dimethylpropyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[2,2-dimethylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl]amino]methyl]-4-[9-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]carbazol-3-yl]-2-pyridinyl]methyl-(2,2-dimethylpropyl)amino]acetate
• SMILES: CC(C)(C)CN(CC(=O)OC(C)(C)C)Cc1cc(-c2ccc3c(c2)c2ccccc2n3CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)cc(CN(CCc2ccc(N)cc2)Cc2cc(-c3ccc4c(c3)c3ccccc3n4CC(=O)N(CC(C)(C)C)CC(C)(C)C)cc(CN(CC(=O)OC(C)(C)C)CC(C)(C)C)n2)n1
• InChI: InChI=1S/C94H128N10O10/c1-87(2,3)59-99(55-83(107)111-91(13,14)15)51-71-45-66(64-35-39-79-75(47-64)73-29-25-27-31-77(73)103(79)53-81(105)101(57-85(109)113-93(19,20)21)58-86(110)114-94(22,23)24)43-69(96-71)49-98(42-41-63-33-37-68(95)38-34-63)50-70-44-67(46-72(97-70)52-100(60-88(4,5)6)56-84(108)112-92(16,17)18)65-36-40-80-76(48-65)74-30-26-28-32-78(74)104(80)54-82(106)102(61-89(7,8)9)62-90(10,11)12/h25-40,43-48H,41-42,49-62,95H2,1-24H3
• InChIKey: VOVZYDHIPZQSTB-UHFFFAOYSA-N
• XLogP: 17.67
• TPSA: 217.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 29
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1558.12
LogP ≤ 5	17.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(2,2-dimethylpropyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[2,2-dimethylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl]amino]methyl]-4-[9-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]carbazol-3-yl]-2-pyridinyl]methyl-(2,2-dimethylpropyl)amino]acetate?

The IUPAC name of tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(2,2-dimethylpropyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[2,2-dimethylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl]amino]methyl]-4-[9-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]carbazol-3-yl]-2-pyridinyl]methyl-(2,2-dimethylpropyl)amino]acetate (CID 126725975) is tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(2,2-dimethylpropyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[2,2-dimethylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl]amino]methyl]-4-[9-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]carbazol-3-yl]-2-pyridinyl]methyl-(2,2-dimethylpropyl)amino]acetate.

What is the SMILES notation for tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(2,2-dimethylpropyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[2,2-dimethylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl]amino]methyl]-4-[9-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]carbazol-3-yl]-2-pyridinyl]methyl-(2,2-dimethylpropyl)amino]acetate?

The canonical SMILES for tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(2,2-dimethylpropyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[2,2-dimethylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl]amino]methyl]-4-[9-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]carbazol-3-yl]-2-pyridinyl]methyl-(2,2-dimethylpropyl)amino]acetate is CC(C)(C)CN(CC(=O)OC(C)(C)C)Cc1cc(-c2ccc3c(c2)c2ccccc2n3CC(=O)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)cc(CN(CCc2ccc(N)cc2)Cc2cc(-c3ccc4c(c3)c3ccccc3n4CC(=O)N(CC(C)(C)C)CC(C)(C)C)cc(CN(CC(=O)OC(C)(C)C)CC(C)(C)C)n2)n1.

What is the InChIKey of tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(2,2-dimethylpropyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[2,2-dimethylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl]amino]methyl]-4-[9-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]carbazol-3-yl]-2-pyridinyl]methyl-(2,2-dimethylpropyl)amino]acetate?

The InChIKey is VOVZYDHIPZQSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H128N10O10/c1-87(2,3)59-99(55-83(107)111-91(13,14)15)51-71-45-66(64-35-39-79-75(47-64)73-29-25-27-31-77(73)103(79)53-81(105)101(57-85(109)113-93(19,20)21)58-86(110)114-94(22,23)24)43-69(96-71)49-98(42-41-63-33-37-68(95)38-34-63)50-70-44-67(46-72(97-70)52-100(60-88(4,5)6)56-84(108)112-92(16,17)18)65-36-40-80-76(48-65)74-30-26-28-32-78(74)104(80)54-82(106)102(61-89(7,8)9)62-90(10,11)12/h25-40,43-48H,41-42,49-62,95H2,1-24H3.

What are the key properties of tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(2,2-dimethylpropyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[2,2-dimethylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl]amino]methyl]-4-[9-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]carbazol-3-yl]-2-pyridinyl]methyl-(2,2-dimethylpropyl)amino]acetate?

tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(2,2-dimethylpropyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[2,2-dimethylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl]amino]methyl]-4-[9-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]carbazol-3-yl]-2-pyridinyl]methyl-(2,2-dimethylpropyl)amino]acetate has a molecular weight of 1558.12 g/mol, XLogP of 17.67, 29 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[6-[[2-(4-aminophenyl)ethyl-[[4-[9-[2-[bis(2,2-dimethylpropyl)amino]-2-oxoethyl]carbazol-3-yl]-6-[[2,2-dimethylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-2-pyridinyl]methyl]amino]methyl]-4-[9-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoethyl]carbazol-3-yl]-2-pyridinyl]methyl-(2,2-dimethylpropyl)amino]acetate is sourced from PubChem (CID 126725975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).