15,20-bis(4-tert-butylphenyl)-27,27,30,30-tetramethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,23-diaza-1-boranonacyclo[16.15.1.12,13.03,12.06,11.022,34.024,33.026,31.017,35]pentatriaconta-3(12),4,6,8,10,13(35),14,16,18(34),19,21,24,26(31),32-tetradecaene

C70H73BN2 — CID 171751985

About 15,20-bis(4-tert-butylphenyl)-27,27,30,30-tetramethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,23-diaza-1-boranonacyclo[16.15.1.12,13.03,12.06,11.022,34.024,33.026,31.017,35]pentatriaconta-3(12),4,6,8,10,13(35),14,16,18(34),19,21,24,26(31),32-tetradecaene

15,20-bis(4-tert-butylphenyl)-27,27,30,30-tetramethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,23-diaza-1-boranonacyclo[16.15.1.12,13.03,12.06,11.022,34.024,33.026,31.017,35]pentatriaconta-3(12),4,6,8,10,13(35),14,16,18(34),19,21,24,26(31),32-tetradecaene (PubChem CID 171751985) has the molecular formula C70H73BN2 and a molecular weight of 953.18 g/mol. Its IUPAC name is 15,20-bis(4-tert-butylphenyl)-27,27,30,30-tetramethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,23-diaza-1-boranonacyclo[16.15.1.12,13.03,12.06,11.022,34.024,33.026,31.017,35]pentatriaconta-3(12),4,6,8,10,13(35),14,16,18(34),19,21,24,26(31),32-tetradecaene.

Molecular Properties

• Compound Name: 15,20-bis(4-tert-butylphenyl)-27,27,30,30-tetramethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,23-diaza-1-boranonacyclo[16.15.1.12,13.03,12.06,11.022,34.024,33.026,31.017,35]pentatriaconta-3(12),4,6,8,10,13(35),14,16,18(34),19,21,24,26(31),32-tetradecaene
• PubChem CID: 171751985
• Molecular Formula: C70H73BN2
• Molecular Weight: 953.18 g/mol
• Exact Mass: 952.59
• IUPAC Name: 15,20-bis(4-tert-butylphenyl)-27,27,30,30-tetramethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,23-diaza-1-boranonacyclo[16.15.1.12,13.03,12.06,11.022,34.024,33.026,31.017,35]pentatriaconta-3(12),4,6,8,10,13(35),14,16,18(34),19,21,24,26(31),32-tetradecaene
• SMILES: CC(C)(C)c1ccc(-c2cc3c4c(c2)N(c2ccc5c(c2)C(C)(C)CCC5(C)C)c2cc5c(cc2B4n2c4ccc6ccccc6c4c4cc(-c6ccc(C(C)(C)C)cc6)cc-3c42)C(C)(C)CCC5(C)C)cc1
• InChI: InChI=1S/C70H73BN2/c1-65(2,3)47-24-19-42(20-25-47)45-36-52-51-35-46(43-21-26-48(27-22-43)66(4,5)6)38-61-63(51)71(73-59-30-23-44-17-15-16-18-50(44)62(59)53(37-45)64(52)73)58-40-56-57(70(13,14)34-33-69(56,11)12)41-60(58)72(61)49-28-29-54-55(39-49)68(9,10)32-31-67(54,7)8/h15-30,35-41H,31-34H2,1-14H3
• InChIKey: MJPIAFPRSUFSTA-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.18
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15,20-bis(4-tert-butylphenyl)-27,27,30,30-tetramethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,23-diaza-1-boranonacyclo[16.15.1.12,13.03,12.06,11.022,34.024,33.026,31.017,35]pentatriaconta-3(12),4,6,8,10,13(35),14,16,18(34),19,21,24,26(31),32-tetradecaene?

The IUPAC name of 15,20-bis(4-tert-butylphenyl)-27,27,30,30-tetramethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,23-diaza-1-boranonacyclo[16.15.1.12,13.03,12.06,11.022,34.024,33.026,31.017,35]pentatriaconta-3(12),4,6,8,10,13(35),14,16,18(34),19,21,24,26(31),32-tetradecaene (CID 171751985) is 15,20-bis(4-tert-butylphenyl)-27,27,30,30-tetramethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,23-diaza-1-boranonacyclo[16.15.1.12,13.03,12.06,11.022,34.024,33.026,31.017,35]pentatriaconta-3(12),4,6,8,10,13(35),14,16,18(34),19,21,24,26(31),32-tetradecaene.

What is the SMILES notation for 15,20-bis(4-tert-butylphenyl)-27,27,30,30-tetramethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,23-diaza-1-boranonacyclo[16.15.1.12,13.03,12.06,11.022,34.024,33.026,31.017,35]pentatriaconta-3(12),4,6,8,10,13(35),14,16,18(34),19,21,24,26(31),32-tetradecaene?

The canonical SMILES for 15,20-bis(4-tert-butylphenyl)-27,27,30,30-tetramethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,23-diaza-1-boranonacyclo[16.15.1.12,13.03,12.06,11.022,34.024,33.026,31.017,35]pentatriaconta-3(12),4,6,8,10,13(35),14,16,18(34),19,21,24,26(31),32-tetradecaene is CC(C)(C)c1ccc(-c2cc3c4c(c2)N(c2ccc5c(c2)C(C)(C)CCC5(C)C)c2cc5c(cc2B4n2c4ccc6ccccc6c4c4cc(-c6ccc(C(C)(C)C)cc6)cc-3c42)C(C)(C)CCC5(C)C)cc1.

What is the InChIKey of 15,20-bis(4-tert-butylphenyl)-27,27,30,30-tetramethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,23-diaza-1-boranonacyclo[16.15.1.12,13.03,12.06,11.022,34.024,33.026,31.017,35]pentatriaconta-3(12),4,6,8,10,13(35),14,16,18(34),19,21,24,26(31),32-tetradecaene?

The InChIKey is MJPIAFPRSUFSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H73BN2/c1-65(2,3)47-24-19-42(20-25-47)45-36-52-51-35-46(43-21-26-48(27-22-43)66(4,5)6)38-61-63(51)71(73-59-30-23-44-17-15-16-18-50(44)62(59)53(37-45)64(52)73)58-40-56-57(70(13,14)34-33-69(56,11)12)41-60(58)72(61)49-28-29-54-55(39-49)68(9,10)32-31-67(54,7)8/h15-30,35-41H,31-34H2,1-14H3.

What are the key properties of 15,20-bis(4-tert-butylphenyl)-27,27,30,30-tetramethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,23-diaza-1-boranonacyclo[16.15.1.12,13.03,12.06,11.022,34.024,33.026,31.017,35]pentatriaconta-3(12),4,6,8,10,13(35),14,16,18(34),19,21,24,26(31),32-tetradecaene?

15,20-bis(4-tert-butylphenyl)-27,27,30,30-tetramethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,23-diaza-1-boranonacyclo[16.15.1.12,13.03,12.06,11.022,34.024,33.026,31.017,35]pentatriaconta-3(12),4,6,8,10,13(35),14,16,18(34),19,21,24,26(31),32-tetradecaene has a molecular weight of 953.18 g/mol, XLogP of 17.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 15,20-bis(4-tert-butylphenyl)-27,27,30,30-tetramethyl-23-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,23-diaza-1-boranonacyclo[16.15.1.12,13.03,12.06,11.022,34.024,33.026,31.017,35]pentatriaconta-3(12),4,6,8,10,13(35),14,16,18(34),19,21,24,26(31),32-tetradecaene is sourced from PubChem (CID 171751985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).