N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene

C167H141F2N9O12 — CID 158232630

IUPACN-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene
SMILESCC(=O)c1ccc2cc3cc(-c4cnc([C@@H](NC(=O)C5CCC(F)(F)CC5)C(C)(C)C)[nH]4)ccc3cc2c1.CC(=O)c1ccc2cc3cc(-c4cnc([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]4)ccc3cc2c1.COc1ccc(-c2ccc3cc4cc(OC)ccc4cc3c2)cc1.COc1ccc2cc3cc(-c4ccccn4)ccc3cc2c1.Cc1ccc2cc3cc(-c4ccccc4)ccc3cc2c1.Cc1ccc2cc3cc(N4C(=O)c5ccc6c7c(ccc(c57)C4=O)C(=O)N(c4ccc5cc7cc(C)ccc7cc5c4)C6=O)ccc3cc2c1
InChIInChI=1S/C44H26N2O4.C31H33F2N3O2.C29H33N3O3.C22H18O2.C21H16.C20H15NO/c1-23-3-5-25-19-31-21-33(9-7-27(31)17-29(25)15-23)45-41(47)35-11-13-37-40-38(14-12-36(39(35)40)42(45)48)44(50)46(43(37)49)34-10-8-28-18-30-16-24(2)4-6-26(30)20-32(28)22-34;1-18(37)20-5-6-21-15-25-16-23(8-7-22(25)14-24(21)13-20)26-17-34-28(35-26)27(30(2,3)4)36-29(38)19-9-11-31(32,33)12-10-19;1-17(33)18-8-9-19-14-23-15-21(11-10-20(23)13-22(19)12-18)24-16-30-26(31-24)25(28(2,3)4)32-27(34)35-29(5,6)7;1-23-21-8-5-15(6-9-21)16-3-4-17-13-20-14-22(24-2)10-7-18(20)12-19(17)11-16;1-15-7-8-18-14-21-12-17(16-5-3-2-4-6-16)9-10-19(21)13-20(18)11-15;1-22-19-8-7-15-10-17-12-16(20-4-2-3-9-21-20)6-5-14(17)11-18(15)13-19/h3-22H,1-2H3;5-8,13-17,19,27H,9-12H2,1-4H3,(H,34,35)(H,36,38);8-16,25H,1-7H3,(H,30,31)(H,32,34);3-14H,1-2H3;2-14H,1H3;2-13H,1H3/t;27-;25-;;;/m.11.../s1
InChIKeyGEOJGXMLVBHCKS-VJLMTCQPSA-N
MW2504.01 g/mol
LogP41.19
Rot. Bonds17

About N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene

N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene (PubChem CID 158232630) has the molecular formula C167H141F2N9O12 and a molecular weight of 2504.01 g/mol. Its IUPAC name is N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene.

Molecular Properties

Compound NameN-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene
PubChem CID158232630
Molecular FormulaC167H141F2N9O12
Molecular Weight2504.01 g/mol
Exact Mass2502.07
IUPAC NameN-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene
SMILESCC(=O)c1ccc2cc3cc(-c4cnc([C@@H](NC(=O)C5CCC(F)(F)CC5)C(C)(C)C)[nH]4)ccc3cc2c1.CC(=O)c1ccc2cc3cc(-c4cnc([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]4)ccc3cc2c1.COc1ccc(-c2ccc3cc4cc(OC)ccc4cc3c2)cc1.COc1ccc2cc3cc(-c4ccccn4)ccc3cc2c1.Cc1ccc2cc3cc(-c4ccccc4)ccc3cc2c1.Cc1ccc2cc3cc(N4C(=O)c5ccc6c7c(ccc(c57)C4=O)C(=O)N(c4ccc5cc7cc(C)ccc7cc5c4)C6=O)ccc3cc2c1
InChIInChI=1S/C44H26N2O4.C31H33F2N3O2.C29H33N3O3.C22H18O2.C21H16.C20H15NO/c1-23-3-5-25-19-31-21-33(9-7-27(31)17-29(25)15-23)45-41(47)35-11-13-37-40-38(14-12-36(39(35)40)42(45)48)44(50)46(43(37)49)34-10-8-28-18-30-16-24(2)4-6-26(30)20-32(28)22-34;1-18(37)20-5-6-21-15-25-16-23(8-7-22(25)14-24(21)13-20)26-17-34-28(35-26)27(30(2,3)4)36-29(38)19-9-11-31(32,33)12-10-19;1-17(33)18-8-9-19-14-23-15-21(11-10-20(23)13-22(19)12-18)24-16-30-26(31-24)25(28(2,3)4)32-27(34)35-29(5,6)7;1-23-21-8-5-15(6-9-21)16-3-4-17-13-20-14-22(24-2)10-7-18(20)12-19(17)11-16;1-15-7-8-18-14-21-12-17(16-5-3-2-4-6-16)9-10-19(21)13-20(18)11-15;1-22-19-8-7-15-10-17-12-16(20-4-2-3-9-21-20)6-5-14(17)11-18(15)13-19/h3-22H,1-2H3;5-8,13-17,19,27H,9-12H2,1-4H3,(H,34,35)(H,36,38);8-16,25H,1-7H3,(H,30,31)(H,32,34);3-14H,1-2H3;2-14H,1H3;2-13H,1H3/t;27-;25-;;;/m.11.../s1
InChIKeyGEOJGXMLVBHCKS-VJLMTCQPSA-N
XLogP41.19
TPSA274.27 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms190
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002504.01
LogP ≤ 541.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene?
The IUPAC name of N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene (CID 158232630) is N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene.
What is the SMILES notation for N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene?
The canonical SMILES for N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene is CC(=O)c1ccc2cc3cc(-c4cnc([C@@H](NC(=O)C5CCC(F)(F)CC5)C(C)(C)C)[nH]4)ccc3cc2c1.CC(=O)c1ccc2cc3cc(-c4cnc([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]4)ccc3cc2c1.COc1ccc(-c2ccc3cc4cc(OC)ccc4cc3c2)cc1.COc1ccc2cc3cc(-c4ccccn4)ccc3cc2c1.Cc1ccc2cc3cc(-c4ccccc4)ccc3cc2c1.Cc1ccc2cc3cc(N4C(=O)c5ccc6c7c(ccc(c57)C4=O)C(=O)N(c4ccc5cc7cc(C)ccc7cc5c4)C6=O)ccc3cc2c1.
What is the InChIKey of N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene?
The InChIKey is GEOJGXMLVBHCKS-VJLMTCQPSA-N. The full InChI is InChI=1S/C44H26N2O4.C31H33F2N3O2.C29H33N3O3.C22H18O2.C21H16.C20H15NO/c1-23-3-5-25-19-31-21-33(9-7-27(31)17-29(25)15-23)45-41(47)35-11-13-37-40-38(14-12-36(39(35)40)42(45)48)44(50)46(43(37)49)34-10-8-28-18-30-16-24(2)4-6-26(30)20-32(28)22-34;1-18(37)20-5-6-21-15-25-16-23(8-7-22(25)14-24(21)13-20)26-17-34-28(35-26)27(30(2,3)4)36-29(38)19-9-11-31(32,33)12-10-19;1-17(33)18-8-9-19-14-23-15-21(11-10-20(23)13-22(19)12-18)24-16-30-26(31-24)25(28(2,3)4)32-27(34)35-29(5,6)7;1-23-21-8-5-15(6-9-21)16-3-4-17-13-20-14-22(24-2)10-7-18(20)12-19(17)11-16;1-15-7-8-18-14-21-12-17(16-5-3-2-4-6-16)9-10-19(21)13-20(18)11-15;1-22-19-8-7-15-10-17-12-16(20-4-2-3-9-21-20)6-5-14(17)11-18(15)13-19/h3-22H,1-2H3;5-8,13-17,19,27H,9-12H2,1-4H3,(H,34,35)(H,36,38);8-16,25H,1-7H3,(H,30,31)(H,32,34);3-14H,1-2H3;2-14H,1H3;2-13H,1H3/t;27-;25-;;;/m.11.../s1.
What are the key properties of N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene?
N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene has a molecular weight of 2504.01 g/mol, XLogP of 41.19, 17 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]-4,4-difluorocyclohexane-1-carboxamide;6,13-bis(6-methylanthracen-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;tert-butyl N-[(1S)-1-[5-(6-acetylanthracen-2-yl)-1H-imidazol-2-yl]-2,2-dimethylpropyl]carbamate;2-(6-methoxyanthracen-2-yl)pyridine;2-methoxy-6-(4-methoxyphenyl)anthracene;2-methyl-6-phenylanthracene is sourced from PubChem (CID 158232630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).