2-(4-tert-butyl-2-phenylphenyl)-7,7-dimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-25,32-dioxa-2,21-diaza-1-boranonacyclo[18.15.1.03,15.06,14.08,13.016,36.022,35.024,33.026,31]hexatriaconta-3(15),4,6(14),8,10,12,16(36),17,19,22,24(33),26,28,30,34-pentadecaene

C73H69BN2O2 — CID 174125665

About 2-(4-tert-butyl-2-phenylphenyl)-7,7-dimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-25,32-dioxa-2,21-diaza-1-boranonacyclo[18.15.1.03,15.06,14.08,13.016,36.022,35.024,33.026,31]hexatriaconta-3(15),4,6(14),8,10,12,16(36),17,19,22,24(33),26,28,30,34-pentadecaene

2-(4-tert-butyl-2-phenylphenyl)-7,7-dimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-25,32-dioxa-2,21-diaza-1-boranonacyclo[18.15.1.03,15.06,14.08,13.016,36.022,35.024,33.026,31]hexatriaconta-3(15),4,6(14),8,10,12,16(36),17,19,22,24(33),26,28,30,34-pentadecaene (PubChem CID 174125665) has the molecular formula C73H69BN2O2 and a molecular weight of 1017.18 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-phenylphenyl)-7,7-dimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-25,32-dioxa-2,21-diaza-1-boranonacyclo[18.15.1.03,15.06,14.08,13.016,36.022,35.024,33.026,31]hexatriaconta-3(15),4,6(14),8,10,12,16(36),17,19,22,24(33),26,28,30,34-pentadecaene.

Molecular Properties

• Compound Name: 2-(4-tert-butyl-2-phenylphenyl)-7,7-dimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-25,32-dioxa-2,21-diaza-1-boranonacyclo[18.15.1.03,15.06,14.08,13.016,36.022,35.024,33.026,31]hexatriaconta-3(15),4,6(14),8,10,12,16(36),17,19,22,24(33),26,28,30,34-pentadecaene
• PubChem CID: 174125665
• Molecular Formula: C73H69BN2O2
• Molecular Weight: 1017.18 g/mol
• Exact Mass: 1016.55
• IUPAC Name: 2-(4-tert-butyl-2-phenylphenyl)-7,7-dimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-25,32-dioxa-2,21-diaza-1-boranonacyclo[18.15.1.03,15.06,14.08,13.016,36.022,35.024,33.026,31]hexatriaconta-3(15),4,6(14),8,10,12,16(36),17,19,22,24(33),26,28,30,34-pentadecaene
• SMILES: Cc1cc(C)c(-c2cc3c4c(c2)N(c2cc5c(cc2C)C(C)(C)CCC5(C)C)c2cc5c(cc2B4N(c2ccc(C(C)(C)C)cc2-c2ccccc2)c2ccc4c(c2-3)-c2ccccc2C4(C)C)Oc2ccccc2O5)c(C)c1
• InChI: InChI=1S/C73H69BN2O2/c1-42-33-44(3)66(45(4)34-42)47-36-51-68-58(30-28-53-67(68)49-23-17-18-24-52(49)73(53,12)13)76(57-29-27-48(70(5,6)7)38-50(57)46-21-15-14-16-22-46)74-56-40-64-65(78-63-26-20-19-25-62(63)77-64)41-60(56)75(61(37-47)69(51)74)59-39-55-54(35-43(59)2)71(8,9)31-32-72(55,10)11/h14-30,33-41H,31-32H2,1-13H3
• InChIKey: UZDARLLLEAMPBQ-UHFFFAOYSA-N
• XLogP: 18.81
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1017.18
LogP ≤ 5	18.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-phenylphenyl)-7,7-dimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-25,32-dioxa-2,21-diaza-1-boranonacyclo[18.15.1.03,15.06,14.08,13.016,36.022,35.024,33.026,31]hexatriaconta-3(15),4,6(14),8,10,12,16(36),17,19,22,24(33),26,28,30,34-pentadecaene?

The IUPAC name of 2-(4-tert-butyl-2-phenylphenyl)-7,7-dimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-25,32-dioxa-2,21-diaza-1-boranonacyclo[18.15.1.03,15.06,14.08,13.016,36.022,35.024,33.026,31]hexatriaconta-3(15),4,6(14),8,10,12,16(36),17,19,22,24(33),26,28,30,34-pentadecaene (CID 174125665) is 2-(4-tert-butyl-2-phenylphenyl)-7,7-dimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-25,32-dioxa-2,21-diaza-1-boranonacyclo[18.15.1.03,15.06,14.08,13.016,36.022,35.024,33.026,31]hexatriaconta-3(15),4,6(14),8,10,12,16(36),17,19,22,24(33),26,28,30,34-pentadecaene.

What is the SMILES notation for 2-(4-tert-butyl-2-phenylphenyl)-7,7-dimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-25,32-dioxa-2,21-diaza-1-boranonacyclo[18.15.1.03,15.06,14.08,13.016,36.022,35.024,33.026,31]hexatriaconta-3(15),4,6(14),8,10,12,16(36),17,19,22,24(33),26,28,30,34-pentadecaene?

The canonical SMILES for 2-(4-tert-butyl-2-phenylphenyl)-7,7-dimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-25,32-dioxa-2,21-diaza-1-boranonacyclo[18.15.1.03,15.06,14.08,13.016,36.022,35.024,33.026,31]hexatriaconta-3(15),4,6(14),8,10,12,16(36),17,19,22,24(33),26,28,30,34-pentadecaene is Cc1cc(C)c(-c2cc3c4c(c2)N(c2cc5c(cc2C)C(C)(C)CCC5(C)C)c2cc5c(cc2B4N(c2ccc(C(C)(C)C)cc2-c2ccccc2)c2ccc4c(c2-3)-c2ccccc2C4(C)C)Oc2ccccc2O5)c(C)c1.

What is the InChIKey of 2-(4-tert-butyl-2-phenylphenyl)-7,7-dimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-25,32-dioxa-2,21-diaza-1-boranonacyclo[18.15.1.03,15.06,14.08,13.016,36.022,35.024,33.026,31]hexatriaconta-3(15),4,6(14),8,10,12,16(36),17,19,22,24(33),26,28,30,34-pentadecaene?

The InChIKey is UZDARLLLEAMPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H69BN2O2/c1-42-33-44(3)66(45(4)34-42)47-36-51-68-58(30-28-53-67(68)49-23-17-18-24-52(49)73(53,12)13)76(57-29-27-48(70(5,6)7)38-50(57)46-21-15-14-16-22-46)74-56-40-64-65(78-63-26-20-19-25-62(63)77-64)41-60(56)75(61(37-47)69(51)74)59-39-55-54(35-43(59)2)71(8,9)31-32-72(55,10)11/h14-30,33-41H,31-32H2,1-13H3.

What are the key properties of 2-(4-tert-butyl-2-phenylphenyl)-7,7-dimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-25,32-dioxa-2,21-diaza-1-boranonacyclo[18.15.1.03,15.06,14.08,13.016,36.022,35.024,33.026,31]hexatriaconta-3(15),4,6(14),8,10,12,16(36),17,19,22,24(33),26,28,30,34-pentadecaene?

2-(4-tert-butyl-2-phenylphenyl)-7,7-dimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-25,32-dioxa-2,21-diaza-1-boranonacyclo[18.15.1.03,15.06,14.08,13.016,36.022,35.024,33.026,31]hexatriaconta-3(15),4,6(14),8,10,12,16(36),17,19,22,24(33),26,28,30,34-pentadecaene has a molecular weight of 1017.18 g/mol, XLogP of 18.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butyl-2-phenylphenyl)-7,7-dimethyl-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-18-(2,4,6-trimethylphenyl)-25,32-dioxa-2,21-diaza-1-boranonacyclo[18.15.1.03,15.06,14.08,13.016,36.022,35.024,33.026,31]hexatriaconta-3(15),4,6(14),8,10,12,16(36),17,19,22,24(33),26,28,30,34-pentadecaene is sourced from PubChem (CID 174125665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).