N,N-bis(4-tert-butylphenyl)-4,4-dimethyl-26-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-30-phenyl-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.05,10.019,24.025,33.027,32.016,34]tetratriaconta-3(11),5,7,9,12(34),13,15,17,19,21,23,25(33),27(32),28,30-pentadecaen-14-amine

C74H72BN3 — CID 174126615

About N,N-bis(4-tert-butylphenyl)-4,4-dimethyl-26-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-30-phenyl-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.05,10.019,24.025,33.027,32.016,34]tetratriaconta-3(11),5,7,9,12(34),13,15,17,19,21,23,25(33),27(32),28,30-pentadecaen-14-amine

N,N-bis(4-tert-butylphenyl)-4,4-dimethyl-26-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-30-phenyl-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.05,10.019,24.025,33.027,32.016,34]tetratriaconta-3(11),5,7,9,12(34),13,15,17,19,21,23,25(33),27(32),28,30-pentadecaen-14-amine (PubChem CID 174126615) has the molecular formula C74H72BN3 and a molecular weight of 1014.22 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-4,4-dimethyl-26-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-30-phenyl-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.05,10.019,24.025,33.027,32.016,34]tetratriaconta-3(11),5,7,9,12(34),13,15,17,19,21,23,25(33),27(32),28,30-pentadecaen-14-amine.

Molecular Properties

• Compound Name: N,N-bis(4-tert-butylphenyl)-4,4-dimethyl-26-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-30-phenyl-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.05,10.019,24.025,33.027,32.016,34]tetratriaconta-3(11),5,7,9,12(34),13,15,17,19,21,23,25(33),27(32),28,30-pentadecaen-14-amine
• PubChem CID: 174126615
• Molecular Formula: C74H72BN3
• Molecular Weight: 1014.22 g/mol
• Exact Mass: 1013.58
• IUPAC Name: N,N-bis(4-tert-butylphenyl)-4,4-dimethyl-26-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-30-phenyl-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.05,10.019,24.025,33.027,32.016,34]tetratriaconta-3(11),5,7,9,12(34),13,15,17,19,21,23,25(33),27(32),28,30-pentadecaen-14-amine
• SMILES: Cc1cc2c(cc1N1c3ccc(-c4ccccc4)cc3B3c4c(cc5ccccc5c41)-c1cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc4c5c(n3c14)C(C)(C)c1ccccc1-5)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C74H72BN3/c1-45-39-60-61(73(10,11)38-37-72(60,8)9)44-64(45)77-63-36-27-47(46-21-15-14-16-22-46)41-62(63)75-66-56(40-48-23-17-18-24-54(48)68(66)77)57-42-53(43-58-65-55-25-19-20-26-59(55)74(12,13)69(65)78(75)67(57)58)76(51-32-28-49(29-33-51)70(2,3)4)52-34-30-50(31-35-52)71(5,6)7/h14-36,39-44H,37-38H2,1-13H3
• InChIKey: UZSFZTAARLHVHN-UHFFFAOYSA-N
• XLogP: 18.91
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1014.22
LogP ≤ 5	18.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-4,4-dimethyl-26-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-30-phenyl-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.05,10.019,24.025,33.027,32.016,34]tetratriaconta-3(11),5,7,9,12(34),13,15,17,19,21,23,25(33),27(32),28,30-pentadecaen-14-amine?

The IUPAC name of N,N-bis(4-tert-butylphenyl)-4,4-dimethyl-26-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-30-phenyl-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.05,10.019,24.025,33.027,32.016,34]tetratriaconta-3(11),5,7,9,12(34),13,15,17,19,21,23,25(33),27(32),28,30-pentadecaen-14-amine (CID 174126615) is N,N-bis(4-tert-butylphenyl)-4,4-dimethyl-26-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-30-phenyl-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.05,10.019,24.025,33.027,32.016,34]tetratriaconta-3(11),5,7,9,12(34),13,15,17,19,21,23,25(33),27(32),28,30-pentadecaen-14-amine.

What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-4,4-dimethyl-26-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-30-phenyl-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.05,10.019,24.025,33.027,32.016,34]tetratriaconta-3(11),5,7,9,12(34),13,15,17,19,21,23,25(33),27(32),28,30-pentadecaen-14-amine?

The canonical SMILES for N,N-bis(4-tert-butylphenyl)-4,4-dimethyl-26-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-30-phenyl-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.05,10.019,24.025,33.027,32.016,34]tetratriaconta-3(11),5,7,9,12(34),13,15,17,19,21,23,25(33),27(32),28,30-pentadecaen-14-amine is Cc1cc2c(cc1N1c3ccc(-c4ccccc4)cc3B3c4c(cc5ccccc5c41)-c1cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc4c5c(n3c14)C(C)(C)c1ccccc1-5)C(C)(C)CCC2(C)C.

What is the InChIKey of N,N-bis(4-tert-butylphenyl)-4,4-dimethyl-26-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-30-phenyl-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.05,10.019,24.025,33.027,32.016,34]tetratriaconta-3(11),5,7,9,12(34),13,15,17,19,21,23,25(33),27(32),28,30-pentadecaen-14-amine?

The InChIKey is UZSFZTAARLHVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H72BN3/c1-45-39-60-61(73(10,11)38-37-72(60,8)9)44-64(45)77-63-36-27-47(46-21-15-14-16-22-46)41-62(63)75-66-56(40-48-23-17-18-24-54(48)68(66)77)57-42-53(43-58-65-55-25-19-20-26-59(55)74(12,13)69(65)78(75)67(57)58)76(51-32-28-49(29-33-51)70(2,3)4)52-34-30-50(31-35-52)71(5,6)7/h14-36,39-44H,37-38H2,1-13H3.

What are the key properties of N,N-bis(4-tert-butylphenyl)-4,4-dimethyl-26-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-30-phenyl-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.05,10.019,24.025,33.027,32.016,34]tetratriaconta-3(11),5,7,9,12(34),13,15,17,19,21,23,25(33),27(32),28,30-pentadecaen-14-amine?

N,N-bis(4-tert-butylphenyl)-4,4-dimethyl-26-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-30-phenyl-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.05,10.019,24.025,33.027,32.016,34]tetratriaconta-3(11),5,7,9,12(34),13,15,17,19,21,23,25(33),27(32),28,30-pentadecaen-14-amine has a molecular weight of 1014.22 g/mol, XLogP of 18.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-tert-butylphenyl)-4,4-dimethyl-26-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-30-phenyl-2,26-diaza-1-boranonacyclo[15.15.1.12,12.03,11.05,10.019,24.025,33.027,32.016,34]tetratriaconta-3(11),5,7,9,12(34),13,15,17,19,21,23,25(33),27(32),28,30-pentadecaen-14-amine is sourced from PubChem (CID 174126615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).