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

C175H157ClF4N12O15 — CID 159936730

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

pentakis(carbon dioxide);N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]indole-5-carboxamide;N-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (PubChem CID 159936730) has the molecular formula C175H157ClF4N12O15 and a molecular weight of 2779.69 g/mol. Its IUPAC name is pentakis(carbon dioxide);N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]indole-5-carboxamide;N-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

• Compound Name: pentakis(carbon dioxide);N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]indole-5-carboxamide;N-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
• PubChem CID: 159936730
• Molecular Formula: C175H157ClF4N12O15
• Molecular Weight: 2779.69 g/mol
• Exact Mass: 2777.15
• IUPAC Name: pentakis(carbon dioxide);N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]indole-5-carboxamide;N-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
• SMILES: Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NC3(c4cccc(C(C)C)c4)CCCC3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3C#N)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3C(F)(F)F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3ccccc3C#N)cc12.Cc1cc(Cl)ccc1[C@@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C38H40N2O.C33H31ClN2O.C33H28F4N2O.2C33H29N3O.5CO2/c1-26(2)32-13-10-14-34(23-32)38(21-8-9-22-38)39-37(41)33-19-20-36-35(24-33)27(3)28(4)40(36)25-29-15-17-31(18-16-29)30-11-6-5-7-12-30;1-21-18-29(34)15-16-30(21)23(3)35-33(37)28-14-17-32-31(19-28)22(2)24(4)36(32)20-25-10-12-27(13-11-25)26-8-6-5-7-9-26;1-20-22(3)39(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-29(20)31)32(40)38-21(2)28-15-14-27(34)18-30(28)33(35,36)37;2*1-22-24(3)36(21-25-13-15-27(16-14-25)26-9-5-4-6-10-26)32-18-17-28(19-31(22)32)33(37)35-23(2)30-12-8-7-11-29(30)20-34;5*2-1-3/h5-7,10-20,23-24,26H,8-9,21-22,25H2,1-4H3,(H,39,41);5-19,23H,20H2,1-4H3,(H,35,37);4-18,21H,19H2,1-3H3,(H,38,40);2*4-19,23H,21H2,1-3H3,(H,35,37);;;;;/t;23-;21-;2*23-;;;;;/m.1110...../s1
• InChIKey: OAIPODKHQJAEJR-YSHLDYJNSA-N
• XLogP: 38.10
• TPSA: 388.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 31
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2779.69
LogP ≤ 5	38.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

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

The IUPAC name of pentakis(carbon dioxide);N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]indole-5-carboxamide;N-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (CID 159936730) is pentakis(carbon dioxide);N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]indole-5-carboxamide;N-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.

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

The canonical SMILES for pentakis(carbon dioxide);N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]indole-5-carboxamide;N-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)NC3(c4cccc(C(C)C)c4)CCCC3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3ccccc3C#N)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3C(F)(F)F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3ccccc3C#N)cc12.Cc1cc(Cl)ccc1[C@@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2)cc1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.

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

The InChIKey is OAIPODKHQJAEJR-YSHLDYJNSA-N. The full InChI is InChI=1S/C38H40N2O.C33H31ClN2O.C33H28F4N2O.2C33H29N3O.5CO2/c1-26(2)32-13-10-14-34(23-32)38(21-8-9-22-38)39-37(41)33-19-20-36-35(24-33)27(3)28(4)40(36)25-29-15-17-31(18-16-29)30-11-6-5-7-12-30;1-21-18-29(34)15-16-30(21)23(3)35-33(37)28-14-17-32-31(19-28)22(2)24(4)36(32)20-25-10-12-27(13-11-25)26-8-6-5-7-9-26;1-20-22(3)39(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-29(20)31)32(40)38-21(2)28-15-14-27(34)18-30(28)33(35,36)37;2*1-22-24(3)36(21-25-13-15-27(16-14-25)26-9-5-4-6-10-26)32-18-17-28(19-31(22)32)33(37)35-23(2)30-12-8-7-11-29(30)20-34;5*2-1-3/h5-7,10-20,23-24,26H,8-9,21-22,25H2,1-4H3,(H,39,41);5-19,23H,20H2,1-4H3,(H,35,37);4-18,21H,19H2,1-3H3,(H,38,40);2*4-19,23H,21H2,1-3H3,(H,35,37);;;;;/t;23-;21-;2*23-;;;;;/m.1110...../s1.

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

pentakis(carbon dioxide);N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]indole-5-carboxamide;N-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide has a molecular weight of 2779.69 g/mol, XLogP of 38.10, 31 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for pentakis(carbon dioxide);N-[(1R)-1-(4-chloro-2-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1S)-1-(2-cyanophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[1-(3-propan-2-ylphenyl)cyclopentyl]indole-5-carboxamide;N-[(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 159936730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).