6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one

C130H143ClN4O10 — CID 167555858

About 6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one

6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one (PubChem CID 167555858) has the molecular formula C130H143ClN4O10 and a molecular weight of 1957.04 g/mol. Its IUPAC name is 6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one.

Molecular Properties

• Compound Name: 6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one
• PubChem CID: 167555858
• Molecular Formula: C130H143ClN4O10
• Molecular Weight: 1957.04 g/mol
• Exact Mass: 1955.05
• IUPAC Name: 6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one
• SMILES: C=c1c(C)cc(=CC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1C.CC(C)(C)C1=CC(=C/N=N/c2ccc(Cl)cc2)C=C(C(C)(C)C)C1=O.CC1=CC(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C)C1=O.CCC(C)(C)C1=C/C(=C2/C=C(C(C)(C)CC)C(=O)c3ccccc32)c2ccccc2C1=O.CCc1cccc(C)c1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(c1c(C)cccc1CC)C3=O
• InChI: InChI=1S/C32H26N2O4.C30H32O2.C25H32O.C22H28O2.C21H25ClN2O/c1-5-19-11-7-9-17(3)27(19)33-29(35)21-13-15-23-26-24(16-14-22(25(21)26)30(33)36)32(38)34(31(23)37)28-18(4)10-8-12-20(28)6-2;1-7-29(3,4)25-17-23(19-13-9-11-15-21(19)27(25)31)24-18-26(30(5,6)8-2)28(32)22-16-12-10-14-20(22)24;1-16-12-19(13-17(2)18(16)3)10-11-20-14-21(24(4,5)6)23(26)22(15-20)25(7,8)9;1-13-9-15(10-14(2)19(13)23)16-11-17(21(3,4)5)20(24)18(12-16)22(6,7)8;1-20(2,3)17-11-14(12-18(19(17)25)21(4,5)6)13-23-24-16-9-7-15(22)8-10-16/h7-16H,5-6H2,1-4H3;9-18H,7-8H2,1-6H3;10-15H,3H2,1-2,4-9H3;9-12H,1-8H3;7-13H,1-6H3/b;24-23+;;;24-23+
• InChIKey: CZRXIPVGHJZNES-JIAKIBNBSA-N
• XLogP: 30.97
• TPSA: 201.90 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1957.04
LogP ≤ 5	30.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one?

The IUPAC name of 6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one (CID 167555858) is 6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one.

What is the SMILES notation for 6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one?

The canonical SMILES for 6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one is C=c1c(C)cc(=CC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1C.CC(C)(C)C1=CC(=C/N=N/c2ccc(Cl)cc2)C=C(C(C)(C)C)C1=O.CC1=CC(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C)C1=O.CCC(C)(C)C1=C/C(=C2/C=C(C(C)(C)CC)C(=O)c3ccccc32)c2ccccc2C1=O.CCc1cccc(C)c1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(c1c(C)cccc1CC)C3=O.

What is the InChIKey of 6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one?

The InChIKey is CZRXIPVGHJZNES-JIAKIBNBSA-N. The full InChI is InChI=1S/C32H26N2O4.C30H32O2.C25H32O.C22H28O2.C21H25ClN2O/c1-5-19-11-7-9-17(3)27(19)33-29(35)21-13-15-23-26-24(16-14-22(25(21)26)30(33)36)32(38)34(31(23)37)28-18(4)10-8-12-20(28)6-2;1-7-29(3,4)25-17-23(19-13-9-11-15-21(19)27(25)31)24-18-26(30(5,6)8-2)28(32)22-16-12-10-14-20(22)24;1-16-12-19(13-17(2)18(16)3)10-11-20-14-21(24(4,5)6)23(26)22(15-20)25(7,8)9;1-13-9-15(10-14(2)19(13)23)16-11-17(21(3,4)5)20(24)18(12-16)22(6,7)8;1-20(2,3)17-11-14(12-18(19(17)25)21(4,5)6)13-23-24-16-9-7-15(22)8-10-16/h7-16H,5-6H2,1-4H3;9-18H,7-8H2,1-6H3;10-15H,3H2,1-2,4-9H3;9-12H,1-8H3;7-13H,1-6H3/b;24-23+;;;24-23+.

What are the key properties of 6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one?

6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one has a molecular weight of 1957.04 g/mol, XLogP of 30.97, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6,13-bis(2-ethyl-6-methylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;2,6-ditert-butyl-4-[[(4-chlorophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;4-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-one;(4E)-2-(2-methylbutan-2-yl)-4-[3-(2-methylbutan-2-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one is sourced from PubChem (CID 167555858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).