(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidine-2-carboxylic acid;N-[7-(benzhydrylideneamino)-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]-1,1-diphenylmethanimine;2,7-dibromo-9-(10-bromodecyl)carbazole;2,7-dibromo-9H-fluorene;2,7-dibromo-9-[10-(4-methylpiperazin-1-yl)decyl]carbazole;methyl N-[(1R)-2-[(2S)-2-[2-[7-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]acetyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;9-[10-(4-methylpiperazin-1-yl)decyl]carbazole-2,7-diamine

C216H262Br7N23O11 — CID 159766215

About (2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidine-2-carboxylic acid;N-[7-(benzhydrylideneamino)-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]-1,1-diphenylmethanimine;2,7-dibromo-9-(10-bromodecyl)carbazole;2,7-dibromo-9H-fluorene;2,7-dibromo-9-[10-(4-methylpiperazin-1-yl)decyl]carbazole;methyl N-[(1R)-2-[(2S)-2-[2-[7-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]acetyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;9-[10-(4-methylpiperazin-1-yl)decyl]carbazole-2,7-diamine

(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidine-2-carboxylic acid;N-[7-(benzhydrylideneamino)-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]-1,1-diphenylmethanimine;2,7-dibromo-9-(10-bromodecyl)carbazole;2,7-dibromo-9H-fluorene;2,7-dibromo-9-[10-(4-methylpiperazin-1-yl)decyl]carbazole;methyl N-[(1R)-2-[(2S)-2-[2-[7-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]acetyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;9-[10-(4-methylpiperazin-1-yl)decyl]carbazole-2,7-diamine (PubChem CID 159766215) has the molecular formula C216H262Br7N23O11 and a molecular weight of 3915.95 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidine-2-carboxylic acid;N-[7-(benzhydrylideneamino)-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]-1,1-diphenylmethanimine;2,7-dibromo-9-(10-bromodecyl)carbazole;2,7-dibromo-9H-fluorene;2,7-dibromo-9-[10-(4-methylpiperazin-1-yl)decyl]carbazole;methyl N-[(1R)-2-[(2S)-2-[2-[7-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]acetyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;9-[10-(4-methylpiperazin-1-yl)decyl]carbazole-2,7-diamine.

Molecular Properties

• Compound Name: (2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidine-2-carboxylic acid;N-[7-(benzhydrylideneamino)-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]-1,1-diphenylmethanimine;2,7-dibromo-9-(10-bromodecyl)carbazole;2,7-dibromo-9H-fluorene;2,7-dibromo-9-[10-(4-methylpiperazin-1-yl)decyl]carbazole;methyl N-[(1R)-2-[(2S)-2-[2-[7-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]acetyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;9-[10-(4-methylpiperazin-1-yl)decyl]carbazole-2,7-diamine
• PubChem CID: 159766215
• Molecular Formula: C216H262Br7N23O11
• Molecular Weight: 3915.95 g/mol
• Exact Mass: 3906.49
• IUPAC Name: (2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidine-2-carboxylic acid;N-[7-(benzhydrylideneamino)-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]-1,1-diphenylmethanimine;2,7-dibromo-9-(10-bromodecyl)carbazole;2,7-dibromo-9H-fluorene;2,7-dibromo-9-[10-(4-methylpiperazin-1-yl)decyl]carbazole;methyl N-[(1R)-2-[(2S)-2-[2-[7-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]acetyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;9-[10-(4-methylpiperazin-1-yl)decyl]carbazole-2,7-diamine
• SMILES: BrCCCCCCCCCCn1c2cc(Br)ccc2c2ccc(Br)cc21.Brc1ccc2c(c1)Cc1cc(Br)ccc1-2.CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1.CN1CCN(CCCCCCCCCCn2c3cc(Br)ccc3c3ccc(Br)cc32)CC1.CN1CCN(CCCCCCCCCCn2c3cc(N)ccc3c3ccc(N)cc32)CC1.CN1CCN(CCCCCCCCCCn2c3cc(N=C(c4ccccc4)c4ccccc4)ccc3c3ccc(N=C(c4ccccc4)c4ccccc4)cc32)CC1.COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Cc1ccc2c3ccc(CC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(C)=O)c4ccccc4)cc3n(CCCCCCCCCCN3CCN(C)CC3)c2c1)c1ccccc1
• InChI: InChI=1S/C59H75N7O7.C53H57N5.C27H37Br2N3.C27H41N5.C22H26Br3N.C15H18N2O4.C13H8Br2/c1-42(67)60-55(45-20-12-10-13-21-45)57(70)65-32-18-24-49(65)53(68)40-43-26-28-47-48-29-27-44(41-54(69)50-25-19-33-66(50)58(71)56(61-59(72)73-3)46-22-14-11-15-23-46)39-52(48)64(51(47)38-43)31-17-9-7-5-4-6-8-16-30-63-36-34-62(2)35-37-63;1-56-36-38-57(39-37-56)34-20-6-4-2-3-5-7-21-35-58-50-40-46(54-52(42-22-12-8-13-23-42)43-24-14-9-15-25-43)30-32-48(50)49-33-31-47(41-51(49)58)55-53(44-26-16-10-17-27-44)45-28-18-11-19-29-45;2*1-30-16-18-31(19-17-30)14-8-6-4-2-3-5-7-9-15-32-26-20-22(28)10-12-24(26)25-13-11-23(29)21-27(25)32;23-13-7-5-3-1-2-4-6-8-14-26-21-15-17(24)9-11-19(21)20-12-10-18(25)16-22(20)26;1-10(18)16-13(11-6-3-2-4-7-11)14(19)17-9-5-8-12(17)15(20)21;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h10-15,20-23,26-29,38-39,49-50,55-56H,4-9,16-19,24-25,30-37,40-41H2,1-3H3,(H,60,67)(H,61,72);8-19,22-33,40-41H,2-7,20-21,34-39H2,1H3;10-13,20-21H,2-9,14-19H2,1H3;10-13,20-21H,2-9,14-19,28-29H2,1H3;9-12,15-16H,1-8,13-14H2;2-4,6-7,12-13H,5,8-9H2,1H3,(H,16,18)(H,20,21);1-4,6-7H,5H2/t49-,50-,55+,56+;;;;;12-,13+;/m0....0./s1
• InChIKey: NFNKYCGEUJYIRH-LAAUKZQBSA-N
• XLogP: 48.42
• TPSA: 356.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 76
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3915.95
LogP ≤ 5	48.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidine-2-carboxylic acid;N-[7-(benzhydrylideneamino)-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]-1,1-diphenylmethanimine;2,7-dibromo-9-(10-bromodecyl)carbazole;2,7-dibromo-9H-fluorene;2,7-dibromo-9-[10-(4-methylpiperazin-1-yl)decyl]carbazole;methyl N-[(1R)-2-[(2S)-2-[2-[7-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]acetyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;9-[10-(4-methylpiperazin-1-yl)decyl]carbazole-2,7-diamine?

The IUPAC name of (2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidine-2-carboxylic acid;N-[7-(benzhydrylideneamino)-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]-1,1-diphenylmethanimine;2,7-dibromo-9-(10-bromodecyl)carbazole;2,7-dibromo-9H-fluorene;2,7-dibromo-9-[10-(4-methylpiperazin-1-yl)decyl]carbazole;methyl N-[(1R)-2-[(2S)-2-[2-[7-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]acetyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;9-[10-(4-methylpiperazin-1-yl)decyl]carbazole-2,7-diamine (CID 159766215) is (2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidine-2-carboxylic acid;N-[7-(benzhydrylideneamino)-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]-1,1-diphenylmethanimine;2,7-dibromo-9-(10-bromodecyl)carbazole;2,7-dibromo-9H-fluorene;2,7-dibromo-9-[10-(4-methylpiperazin-1-yl)decyl]carbazole;methyl N-[(1R)-2-[(2S)-2-[2-[7-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]acetyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;9-[10-(4-methylpiperazin-1-yl)decyl]carbazole-2,7-diamine.

What is the SMILES notation for (2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidine-2-carboxylic acid;N-[7-(benzhydrylideneamino)-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]-1,1-diphenylmethanimine;2,7-dibromo-9-(10-bromodecyl)carbazole;2,7-dibromo-9H-fluorene;2,7-dibromo-9-[10-(4-methylpiperazin-1-yl)decyl]carbazole;methyl N-[(1R)-2-[(2S)-2-[2-[7-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]acetyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;9-[10-(4-methylpiperazin-1-yl)decyl]carbazole-2,7-diamine?

The canonical SMILES for (2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidine-2-carboxylic acid;N-[7-(benzhydrylideneamino)-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]-1,1-diphenylmethanimine;2,7-dibromo-9-(10-bromodecyl)carbazole;2,7-dibromo-9H-fluorene;2,7-dibromo-9-[10-(4-methylpiperazin-1-yl)decyl]carbazole;methyl N-[(1R)-2-[(2S)-2-[2-[7-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]acetyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;9-[10-(4-methylpiperazin-1-yl)decyl]carbazole-2,7-diamine is BrCCCCCCCCCCn1c2cc(Br)ccc2c2ccc(Br)cc21.Brc1ccc2c(c1)Cc1cc(Br)ccc1-2.CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1.CN1CCN(CCCCCCCCCCn2c3cc(Br)ccc3c3ccc(Br)cc32)CC1.CN1CCN(CCCCCCCCCCn2c3cc(N)ccc3c3ccc(N)cc32)CC1.CN1CCN(CCCCCCCCCCn2c3cc(N=C(c4ccccc4)c4ccccc4)ccc3c3ccc(N=C(c4ccccc4)c4ccccc4)cc32)CC1.COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Cc1ccc2c3ccc(CC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(C)=O)c4ccccc4)cc3n(CCCCCCCCCCN3CCN(C)CC3)c2c1)c1ccccc1.

What is the InChIKey of (2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidine-2-carboxylic acid;N-[7-(benzhydrylideneamino)-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]-1,1-diphenylmethanimine;2,7-dibromo-9-(10-bromodecyl)carbazole;2,7-dibromo-9H-fluorene;2,7-dibromo-9-[10-(4-methylpiperazin-1-yl)decyl]carbazole;methyl N-[(1R)-2-[(2S)-2-[2-[7-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]acetyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;9-[10-(4-methylpiperazin-1-yl)decyl]carbazole-2,7-diamine?

The InChIKey is NFNKYCGEUJYIRH-LAAUKZQBSA-N. The full InChI is InChI=1S/C59H75N7O7.C53H57N5.C27H37Br2N3.C27H41N5.C22H26Br3N.C15H18N2O4.C13H8Br2/c1-42(67)60-55(45-20-12-10-13-21-45)57(70)65-32-18-24-49(65)53(68)40-43-26-28-47-48-29-27-44(41-54(69)50-25-19-33-66(50)58(71)56(61-59(72)73-3)46-22-14-11-15-23-46)39-52(48)64(51(47)38-43)31-17-9-7-5-4-6-8-16-30-63-36-34-62(2)35-37-63;1-56-36-38-57(39-37-56)34-20-6-4-2-3-5-7-21-35-58-50-40-46(54-52(42-22-12-8-13-23-42)43-24-14-9-15-25-43)30-32-48(50)49-33-31-47(41-51(49)58)55-53(44-26-16-10-17-27-44)45-28-18-11-19-29-45;2*1-30-16-18-31(19-17-30)14-8-6-4-2-3-5-7-9-15-32-26-20-22(28)10-12-24(26)25-13-11-23(29)21-27(25)32;23-13-7-5-3-1-2-4-6-8-14-26-21-15-17(24)9-11-19(21)20-12-10-18(25)16-22(20)26;1-10(18)16-13(11-6-3-2-4-7-11)14(19)17-9-5-8-12(17)15(20)21;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h10-15,20-23,26-29,38-39,49-50,55-56H,4-9,16-19,24-25,30-37,40-41H2,1-3H3,(H,60,67)(H,61,72);8-19,22-33,40-41H,2-7,20-21,34-39H2,1H3;10-13,20-21H,2-9,14-19H2,1H3;10-13,20-21H,2-9,14-19,28-29H2,1H3;9-12,15-16H,1-8,13-14H2;2-4,6-7,12-13H,5,8-9H2,1H3,(H,16,18)(H,20,21);1-4,6-7H,5H2/t49-,50-,55+,56+;;;;;12-,13+;/m0....0./s1.

What are the key properties of (2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidine-2-carboxylic acid;N-[7-(benzhydrylideneamino)-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]-1,1-diphenylmethanimine;2,7-dibromo-9-(10-bromodecyl)carbazole;2,7-dibromo-9H-fluorene;2,7-dibromo-9-[10-(4-methylpiperazin-1-yl)decyl]carbazole;methyl N-[(1R)-2-[(2S)-2-[2-[7-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]acetyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;9-[10-(4-methylpiperazin-1-yl)decyl]carbazole-2,7-diamine?

(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidine-2-carboxylic acid;N-[7-(benzhydrylideneamino)-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]-1,1-diphenylmethanimine;2,7-dibromo-9-(10-bromodecyl)carbazole;2,7-dibromo-9H-fluorene;2,7-dibromo-9-[10-(4-methylpiperazin-1-yl)decyl]carbazole;methyl N-[(1R)-2-[(2S)-2-[2-[7-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]acetyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;9-[10-(4-methylpiperazin-1-yl)decyl]carbazole-2,7-diamine has a molecular weight of 3915.95 g/mol, XLogP of 48.42, 76 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidine-2-carboxylic acid;N-[7-(benzhydrylideneamino)-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]-1,1-diphenylmethanimine;2,7-dibromo-9-(10-bromodecyl)carbazole;2,7-dibromo-9H-fluorene;2,7-dibromo-9-[10-(4-methylpiperazin-1-yl)decyl]carbazole;methyl N-[(1R)-2-[(2S)-2-[2-[7-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-9-[10-(4-methylpiperazin-1-yl)decyl]carbazol-2-yl]acetyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;9-[10-(4-methylpiperazin-1-yl)decyl]carbazole-2,7-diamine is sourced from PubChem (CID 159766215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).