pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

C170H153ClF6N10O15 — CID 159341024

About pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (PubChem CID 159341024) has the molecular formula C170H153ClF6N10O15 and a molecular weight of 2725.59 g/mol. Its IUPAC name is pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

• Compound Name: pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
• PubChem CID: 159341024
• Molecular Formula: C170H153ClF6N10O15
• Molecular Weight: 2725.59 g/mol
• Exact Mass: 2723.11
• IUPAC Name: pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
• SMILES: Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NCc3ccc(Cl)cc3C(F)(F)F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NCc3ccc(F)cc3F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)C)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cccc(C(C)C)c3)cc12.Cc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c(F)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/2C35H36N2O.C32H26ClF3N2O.C32H29FN2O.C31H26F2N2O.5CO2/c1-23(2)30-12-9-13-31(20-30)25(4)36-35(38)32-18-19-34-33(21-32)24(3)26(5)37(34)22-27-14-16-29(17-15-27)28-10-7-6-8-11-28;1-23(2)28-15-17-29(18-16-28)25(4)36-35(38)32-19-20-34-33(21-32)24(3)26(5)37(34)22-27-11-13-31(14-12-27)30-9-7-6-8-10-30;1-20-21(2)38(19-22-8-10-24(11-9-22)23-6-4-3-5-7-23)30-15-13-25(16-28(20)30)31(39)37-18-26-12-14-27(33)17-29(26)32(34,35)36;1-21-9-12-28(30(33)17-21)19-34-32(36)27-15-16-31-29(18-27)22(2)23(3)35(31)20-24-10-13-26(14-11-24)25-7-5-4-6-8-25;1-20-21(2)35(19-22-8-10-24(11-9-22)23-6-4-3-5-7-23)30-15-13-25(16-28(20)30)31(36)34-18-26-12-14-27(32)17-29(26)33;5*2-1-3/h2*6-21,23,25H,22H2,1-5H3,(H,36,38);3-17H,18-19H2,1-2H3,(H,37,39);4-18H,19-20H2,1-3H3,(H,34,36);3-17H,18-19H2,1-2H3,(H,34,36);;;;;/t2*25-;;;;;;;;/m10......../s1
• InChIKey: LGDIFDRJVCISTF-QZCJPPOOSA-N
• XLogP: 37.37
• TPSA: 340.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2725.59
LogP ≤ 5	37.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

The IUPAC name of pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (CID 159341024) is pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.

What is the SMILES notation for pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

The canonical SMILES for pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NCc3ccc(Cl)cc3C(F)(F)F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NCc3ccc(F)cc3F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)C)cc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cccc(C(C)C)c3)cc12.Cc1ccc(CNC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccc(-c3ccccc3)cc2)c(F)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.

What is the InChIKey of pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

The InChIKey is LGDIFDRJVCISTF-QZCJPPOOSA-N. The full InChI is InChI=1S/2C35H36N2O.C32H26ClF3N2O.C32H29FN2O.C31H26F2N2O.5CO2/c1-23(2)30-12-9-13-31(20-30)25(4)36-35(38)32-18-19-34-33(21-32)24(3)26(5)37(34)22-27-14-16-29(17-15-27)28-10-7-6-8-11-28;1-23(2)28-15-17-29(18-16-28)25(4)36-35(38)32-19-20-34-33(21-32)24(3)26(5)37(34)22-27-11-13-31(14-12-27)30-9-7-6-8-10-30;1-20-21(2)38(19-22-8-10-24(11-9-22)23-6-4-3-5-7-23)30-15-13-25(16-28(20)30)31(39)37-18-26-12-14-27(33)17-29(26)32(34,35)36;1-21-9-12-28(30(33)17-21)19-34-32(36)27-15-16-31-29(18-27)22(2)23(3)35(31)20-24-10-13-26(14-11-24)25-7-5-4-6-8-25;1-20-21(2)35(19-22-8-10-24(11-9-22)23-6-4-3-5-7-23)30-15-13-25(16-28(20)30)31(36)34-18-26-12-14-27(32)17-29(26)33;5*2-1-3/h2*6-21,23,25H,22H2,1-5H3,(H,36,38);3-17H,18-19H2,1-2H3,(H,37,39);4-18H,19-20H2,1-3H3,(H,34,36);3-17H,18-19H2,1-2H3,(H,34,36);;;;;/t2*25-;;;;;;;;/m10......../s1.

What are the key properties of pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?

pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide has a molecular weight of 2725.59 g/mol, XLogP of 37.37, 32 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(carbon dioxide);N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide;N-[(2-fluoro-4-methylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 159341024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).