9,23-bis(2-tert-butylphenyl)-4-(3,4-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(3,5-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,4-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,5-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione

C202H168N4O8 — CID 160866368

About 9,23-bis(2-tert-butylphenyl)-4-(3,4-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(3,5-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,4-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,5-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione

9,23-bis(2-tert-butylphenyl)-4-(3,4-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(3,5-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,4-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,5-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione (PubChem CID 160866368) has the molecular formula C202H168N4O8 and a molecular weight of 2779.59 g/mol. Its IUPAC name is 9,23-bis(2-tert-butylphenyl)-4-(3,4-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(3,5-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,4-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,5-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione.

Molecular Properties

• Compound Name: 9,23-bis(2-tert-butylphenyl)-4-(3,4-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(3,5-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,4-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,5-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione
• PubChem CID: 160866368
• Molecular Formula: C202H168N4O8
• Molecular Weight: 2779.59 g/mol
• Exact Mass: 2777.29
• IUPAC Name: 9,23-bis(2-tert-butylphenyl)-4-(3,4-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(3,5-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,4-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,5-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione
• SMILES: Cc1cc(C)c(C)c(-n2c(=O)c3c4cc(-c5ccccc5C(C)(C)C)c5ccc6ccc7c(-c8ccccc8C(C)(C)C)cc(c3c2=O)c2c7c6c5c42)c1.Cc1cc(C)cc(-n2c(=O)c3c4cc(-c5ccccc5C(C)(C)C)c5ccc6ccc7c(-c8ccccc8C(C)(C)C)cc(c3c2=O)c2c7c6c5c42)c1.Cc1ccc(-n2c(=O)c3c4cc(-c5ccccc5C(C)(C)C)c5ccc6ccc7c(-c8ccccc8C(C)(C)C)cc(c3c2=O)c2c7c6c5c42)c(C)c1C.Cc1ccc(-n2c(=O)c3c4cc(-c5ccccc5C(C)(C)C)c5ccc6ccc7c(-c8ccccc8C(C)(C)C)cc(c3c2=O)c2c7c6c5c42)cc1C
• InChI: InChI=1S/2C51H43NO2.2C50H41NO2/c1-26-18-23-40(28(3)27(26)2)52-48(53)46-36-24-34(30-14-10-12-16-38(30)50(4,5)6)32-21-19-29-20-22-33-35(31-15-11-13-17-39(31)51(7,8)9)25-37(47(46)49(52)54)45-43(33)41(29)42(32)44(36)45;1-26-22-27(2)28(3)40(23-26)52-48(53)46-36-24-34(30-14-10-12-16-38(30)50(4,5)6)32-20-18-29-19-21-33-35(31-15-11-13-17-39(31)51(7,8)9)25-37(47(46)49(52)54)45-43(33)41(29)42(32)44(36)45;1-26-17-20-29(23-27(26)2)51-47(52)45-36-24-34(30-13-9-11-15-38(30)49(3,4)5)32-21-18-28-19-22-33-35(31-14-10-12-16-39(31)50(6,7)8)25-37(46(45)48(51)53)44-42(33)40(28)41(32)43(36)44;1-26-21-27(2)23-29(22-26)51-47(52)45-36-24-34(30-13-9-11-15-38(30)49(3,4)5)32-19-17-28-18-20-33-35(31-14-10-12-16-39(31)50(6,7)8)25-37(46(45)48(51)53)44-42(33)40(28)41(32)43(36)44/h2*10-25H,1-9H3;2*9-25H,1-8H3
• InChIKey: SLEAICTZUFRLEO-UHFFFAOYSA-N
• XLogP: 50.27
• TPSA: 156.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2779.59
LogP ≤ 5	50.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,23-bis(2-tert-butylphenyl)-4-(3,4-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(3,5-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,4-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,5-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione?

The IUPAC name of 9,23-bis(2-tert-butylphenyl)-4-(3,4-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(3,5-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,4-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,5-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione (CID 160866368) is 9,23-bis(2-tert-butylphenyl)-4-(3,4-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(3,5-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,4-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,5-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione.

What is the SMILES notation for 9,23-bis(2-tert-butylphenyl)-4-(3,4-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(3,5-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,4-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,5-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione?

The canonical SMILES for 9,23-bis(2-tert-butylphenyl)-4-(3,4-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(3,5-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,4-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,5-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione is Cc1cc(C)c(C)c(-n2c(=O)c3c4cc(-c5ccccc5C(C)(C)C)c5ccc6ccc7c(-c8ccccc8C(C)(C)C)cc(c3c2=O)c2c7c6c5c42)c1.Cc1cc(C)cc(-n2c(=O)c3c4cc(-c5ccccc5C(C)(C)C)c5ccc6ccc7c(-c8ccccc8C(C)(C)C)cc(c3c2=O)c2c7c6c5c42)c1.Cc1ccc(-n2c(=O)c3c4cc(-c5ccccc5C(C)(C)C)c5ccc6ccc7c(-c8ccccc8C(C)(C)C)cc(c3c2=O)c2c7c6c5c42)c(C)c1C.Cc1ccc(-n2c(=O)c3c4cc(-c5ccccc5C(C)(C)C)c5ccc6ccc7c(-c8ccccc8C(C)(C)C)cc(c3c2=O)c2c7c6c5c42)cc1C.

What is the InChIKey of 9,23-bis(2-tert-butylphenyl)-4-(3,4-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(3,5-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,4-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,5-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione?

The InChIKey is SLEAICTZUFRLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H43NO2.2C50H41NO2/c1-26-18-23-40(28(3)27(26)2)52-48(53)46-36-24-34(30-14-10-12-16-38(30)50(4,5)6)32-21-19-29-20-22-33-35(31-15-11-13-17-39(31)51(7,8)9)25-37(47(46)49(52)54)45-43(33)41(29)42(32)44(36)45;1-26-22-27(2)28(3)40(23-26)52-48(53)46-36-24-34(30-14-10-12-16-38(30)50(4,5)6)32-20-18-29-19-21-33-35(31-15-11-13-17-39(31)51(7,8)9)25-37(47(46)49(52)54)45-43(33)41(29)42(32)44(36)45;1-26-17-20-29(23-27(26)2)51-47(52)45-36-24-34(30-13-9-11-15-38(30)49(3,4)5)32-21-18-28-19-22-33-35(31-14-10-12-16-39(31)50(6,7)8)25-37(46(45)48(51)53)44-42(33)40(28)41(32)43(36)44;1-26-21-27(2)23-29(22-26)51-47(52)45-36-24-34(30-13-9-11-15-38(30)49(3,4)5)32-19-17-28-18-20-33-35(31-14-10-12-16-39(31)50(6,7)8)25-37(46(45)48(51)53)44-42(33)40(28)41(32)43(36)44/h2*10-25H,1-9H3;2*9-25H,1-8H3.

What are the key properties of 9,23-bis(2-tert-butylphenyl)-4-(3,4-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(3,5-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,4-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,5-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione?

9,23-bis(2-tert-butylphenyl)-4-(3,4-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(3,5-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,4-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,5-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione has a molecular weight of 2779.59 g/mol, XLogP of 50.27, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9,23-bis(2-tert-butylphenyl)-4-(3,4-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(3,5-dimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,4-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione;9,23-bis(2-tert-butylphenyl)-4-(2,3,5-trimethylphenyl)-4-azaheptacyclo[14.5.2.02,6.07,20.010,19.013,18.017,21]tricosa-1(22),2(6),7,9,11,13(18),14,16(23),17(21),19-decaene-3,5-dione is sourced from PubChem (CID 160866368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).