2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31-triazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(21),2,5(17),6(14),7,9,11,15,19,23(35),24(32),25,27,29,33-pentadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;(2Z)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-oxo-2-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]butanenitrile;ethane;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol

C129H126Cl2N14O13 — CID 158814577

About 2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31-triazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(21),2,5(17),6(14),7,9,11,15,19,23(35),24(32),25,27,29,33-pentadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;(2Z)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-oxo-2-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]butanenitrile;ethane;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol

2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31-triazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(21),2,5(17),6(14),7,9,11,15,19,23(35),24(32),25,27,29,33-pentadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;(2Z)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-oxo-2-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]butanenitrile;ethane;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol (PubChem CID 158814577) has the molecular formula C129H126Cl2N14O13 and a molecular weight of 2151.42 g/mol. Its IUPAC name is 2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31-triazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(21),2,5(17),6(14),7,9,11,15,19,23(35),24(32),25,27,29,33-pentadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;(2Z)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-oxo-2-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]butanenitrile;ethane;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31-triazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(21),2,5(17),6(14),7,9,11,15,19,23(35),24(32),25,27,29,33-pentadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;(2Z)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-oxo-2-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]butanenitrile;ethane;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol
• PubChem CID: 158814577
• Molecular Formula: C129H126Cl2N14O13
• Molecular Weight: 2151.42 g/mol
• Exact Mass: 2148.90
• IUPAC Name: 2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31-triazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(21),2,5(17),6(14),7,9,11,15,19,23(35),24(32),25,27,29,33-pentadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;(2Z)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-oxo-2-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]butanenitrile;ethane;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CCn1c2ccccc2c2c3c(ccc21)Cc1c(Cl)c2c(c(Cl)c1O3)Nc1ccc3c(c1O2)c1ccccc1n3CC.Cc1nc(C)nc(CC(=O)/C(C#N)=C2/C/C(=C3\C(=O)CC(=O)NC3=O)c3ccccc32)n1.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1c2ccccc2Cc2cc3c(=O)c4ccccc4[nH]c3cc21.O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1
• InChI: InChI=1S/C35H25Cl2N3O2.C23H17N5O4.C21H13NO2.C18H12N2O2.C16H11N3O3.8C2H6/c1-3-39-23-11-7-5-9-19(23)27-25(39)15-13-18-17-21-29(36)35-31(30(37)33(21)41-32(18)27)38-22-14-16-26-28(34(22)42-35)20-10-6-8-12-24(20)40(26)4-2;1-11-25-12(2)27-20(26-11)8-18(29)17(10-24)15-7-16(14-6-4-3-5-13(14)15)22-19(30)9-21(31)28-23(22)32;23-20-14-6-2-1-5-12(14)9-13-10-17-19(11-16(13)20)22-18-8-4-3-7-15(18)21(17)24;21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11;20-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)19(21)22;8*1-2/h5-16,38H,3-4,17H2,1-2H3;3-6H,7-9H2,1-2H3,(H,28,31,32);1-8,10-11H,9H2,(H,22,24);1-10,19,22H;1-10,20H;8*1-2H3/b;17-15-,22-16-;;;18-17+
• InChIKey: NYDHKXPUQVIFEB-JETIJVBBSA-N
• XLogP: 32.42
• TPSA: 386.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2151.42
LogP ≤ 5	32.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31-triazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(21),2,5(17),6(14),7,9,11,15,19,23(35),24(32),25,27,29,33-pentadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;(2Z)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-oxo-2-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]butanenitrile;ethane;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?

The IUPAC name of 2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31-triazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(21),2,5(17),6(14),7,9,11,15,19,23(35),24(32),25,27,29,33-pentadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;(2Z)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-oxo-2-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]butanenitrile;ethane;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol (CID 158814577) is 2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31-triazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(21),2,5(17),6(14),7,9,11,15,19,23(35),24(32),25,27,29,33-pentadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;(2Z)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-oxo-2-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]butanenitrile;ethane;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol.

What is the SMILES notation for 2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31-triazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(21),2,5(17),6(14),7,9,11,15,19,23(35),24(32),25,27,29,33-pentadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;(2Z)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-oxo-2-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]butanenitrile;ethane;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?

The canonical SMILES for 2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31-triazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(21),2,5(17),6(14),7,9,11,15,19,23(35),24(32),25,27,29,33-pentadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;(2Z)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-oxo-2-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]butanenitrile;ethane;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol is CC.CC.CC.CC.CC.CC.CC.CC.CCn1c2ccccc2c2c3c(ccc21)Cc1c(Cl)c2c(c(Cl)c1O3)Nc1ccc3c(c1O2)c1ccccc1n3CC.Cc1nc(C)nc(CC(=O)/C(C#N)=C2/C/C(=C3\C(=O)CC(=O)NC3=O)c3ccccc32)n1.O=C1N=C(c2ccccc2)c2c(O)[nH]c(-c3ccccc3)c21.O=C1c2ccccc2Cc2cc3c(=O)c4ccccc4[nH]c3cc21.O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1.

What is the InChIKey of 2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31-triazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(21),2,5(17),6(14),7,9,11,15,19,23(35),24(32),25,27,29,33-pentadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;(2Z)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-oxo-2-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]butanenitrile;ethane;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?

The InChIKey is NYDHKXPUQVIFEB-JETIJVBBSA-N. The full InChI is InChI=1S/C35H25Cl2N3O2.C23H17N5O4.C21H13NO2.C18H12N2O2.C16H11N3O3.8C2H6/c1-3-39-23-11-7-5-9-19(23)27-25(39)15-13-18-17-21-29(36)35-31(30(37)33(21)41-32(18)27)38-22-14-16-26-28(34(22)42-35)20-10-6-8-12-24(20)40(26)4-2;1-11-25-12(2)27-20(26-11)8-18(29)17(10-24)15-7-16(14-6-4-3-5-13(14)15)22-19(30)9-21(31)28-23(22)32;23-20-14-6-2-1-5-12(14)9-13-10-17-19(11-16(13)20)22-18-8-4-3-7-15(18)21(17)24;21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11;20-15-10-5-11-3-1-2-4-14(11)16(15)18-17-12-6-8-13(9-7-12)19(21)22;8*1-2/h5-16,38H,3-4,17H2,1-2H3;3-6H,7-9H2,1-2H3,(H,28,31,32);1-8,10-11H,9H2,(H,22,24);1-10,19,22H;1-10,20H;8*1-2H3/b;17-15-,22-16-;;;18-17+;;;;;;;;.

What are the key properties of 2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31-triazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(21),2,5(17),6(14),7,9,11,15,19,23(35),24(32),25,27,29,33-pentadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;(2Z)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-oxo-2-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]butanenitrile;ethane;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol?

2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31-triazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(21),2,5(17),6(14),7,9,11,15,19,23(35),24(32),25,27,29,33-pentadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;(2Z)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-oxo-2-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]butanenitrile;ethane;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 2151.42 g/mol, XLogP of 32.42, 10 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2,20-dichloro-13,31-diethyl-4,22-dioxa-13,18,31-triazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.024,32.025,30]hexatriaconta-1(21),2,5(17),6(14),7,9,11,15,19,23(35),24(32),25,27,29,33-pentadecaene;5,12-dihydronaphtho[3,2-b]acridine-7,14-dione;(2Z)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-oxo-2-[(3Z)-3-(2,4,6-trioxopiperidin-3-ylidene)inden-1-ylidene]butanenitrile;ethane;3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one;1-[(4-nitrophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 158814577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).