17-tert-butyl-13,21-bis(4-tert-butylphenyl)-9,9,24,24-tetramethyl-13,21-diaza-20-boranonacyclo[18.14.1.02,10.03,8.012,35.014,19.022,34.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,22(34),23(31),25,27,29,32-pentadecaene

C60H61BN2 — CID 174128514

About 17-tert-butyl-13,21-bis(4-tert-butylphenyl)-9,9,24,24-tetramethyl-13,21-diaza-20-boranonacyclo[18.14.1.02,10.03,8.012,35.014,19.022,34.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,22(34),23(31),25,27,29,32-pentadecaene

17-tert-butyl-13,21-bis(4-tert-butylphenyl)-9,9,24,24-tetramethyl-13,21-diaza-20-boranonacyclo[18.14.1.02,10.03,8.012,35.014,19.022,34.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,22(34),23(31),25,27,29,32-pentadecaene (PubChem CID 174128514) has the molecular formula C60H61BN2 and a molecular weight of 820.97 g/mol. Its IUPAC name is 17-tert-butyl-13,21-bis(4-tert-butylphenyl)-9,9,24,24-tetramethyl-13,21-diaza-20-boranonacyclo[18.14.1.02,10.03,8.012,35.014,19.022,34.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,22(34),23(31),25,27,29,32-pentadecaene.

Molecular Properties

• Compound Name: 17-tert-butyl-13,21-bis(4-tert-butylphenyl)-9,9,24,24-tetramethyl-13,21-diaza-20-boranonacyclo[18.14.1.02,10.03,8.012,35.014,19.022,34.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,22(34),23(31),25,27,29,32-pentadecaene
• PubChem CID: 174128514
• Molecular Formula: C60H61BN2
• Molecular Weight: 820.97 g/mol
• Exact Mass: 820.49
• IUPAC Name: 17-tert-butyl-13,21-bis(4-tert-butylphenyl)-9,9,24,24-tetramethyl-13,21-diaza-20-boranonacyclo[18.14.1.02,10.03,8.012,35.014,19.022,34.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,22(34),23(31),25,27,29,32-pentadecaene
• SMILES: CC(C)(C)c1ccc(N2B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc5c(c(c43)-c3ccc4c(c32)C(C)(C)c2ccccc2-4)-c2ccccc2C5(C)C)cc1
• InChI: InChI=1S/C60H61BN2/c1-56(2,3)36-22-27-39(28-23-36)62-49-33-26-38(58(7,8)9)34-48(49)61-54-50(62)35-47-51(43-19-15-17-21-46(43)59(47,10)11)52(54)44-32-31-42-41-18-14-16-20-45(41)60(12,13)53(42)55(44)63(61)40-29-24-37(25-30-40)57(4,5)6/h14-35H,1-13H3
• InChIKey: VWFWWXMGOBNZKG-UHFFFAOYSA-N
• XLogP: 14.90
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.97
LogP ≤ 5	14.90
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 17-tert-butyl-13,21-bis(4-tert-butylphenyl)-9,9,24,24-tetramethyl-13,21-diaza-20-boranonacyclo[18.14.1.02,10.03,8.012,35.014,19.022,34.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,22(34),23(31),25,27,29,32-pentadecaene?

The IUPAC name of 17-tert-butyl-13,21-bis(4-tert-butylphenyl)-9,9,24,24-tetramethyl-13,21-diaza-20-boranonacyclo[18.14.1.02,10.03,8.012,35.014,19.022,34.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,22(34),23(31),25,27,29,32-pentadecaene (CID 174128514) is 17-tert-butyl-13,21-bis(4-tert-butylphenyl)-9,9,24,24-tetramethyl-13,21-diaza-20-boranonacyclo[18.14.1.02,10.03,8.012,35.014,19.022,34.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,22(34),23(31),25,27,29,32-pentadecaene.

What is the SMILES notation for 17-tert-butyl-13,21-bis(4-tert-butylphenyl)-9,9,24,24-tetramethyl-13,21-diaza-20-boranonacyclo[18.14.1.02,10.03,8.012,35.014,19.022,34.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,22(34),23(31),25,27,29,32-pentadecaene?

The canonical SMILES for 17-tert-butyl-13,21-bis(4-tert-butylphenyl)-9,9,24,24-tetramethyl-13,21-diaza-20-boranonacyclo[18.14.1.02,10.03,8.012,35.014,19.022,34.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,22(34),23(31),25,27,29,32-pentadecaene is CC(C)(C)c1ccc(N2B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc5c(c(c43)-c3ccc4c(c32)C(C)(C)c2ccccc2-4)-c2ccccc2C5(C)C)cc1.

What is the InChIKey of 17-tert-butyl-13,21-bis(4-tert-butylphenyl)-9,9,24,24-tetramethyl-13,21-diaza-20-boranonacyclo[18.14.1.02,10.03,8.012,35.014,19.022,34.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,22(34),23(31),25,27,29,32-pentadecaene?

The InChIKey is VWFWWXMGOBNZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H61BN2/c1-56(2,3)36-22-27-39(28-23-36)62-49-33-26-38(58(7,8)9)34-48(49)61-54-50(62)35-47-51(43-19-15-17-21-46(43)59(47,10)11)52(54)44-32-31-42-41-18-14-16-20-45(41)60(12,13)53(42)55(44)63(61)40-29-24-37(25-30-40)57(4,5)6/h14-35H,1-13H3.

What are the key properties of 17-tert-butyl-13,21-bis(4-tert-butylphenyl)-9,9,24,24-tetramethyl-13,21-diaza-20-boranonacyclo[18.14.1.02,10.03,8.012,35.014,19.022,34.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,22(34),23(31),25,27,29,32-pentadecaene?

17-tert-butyl-13,21-bis(4-tert-butylphenyl)-9,9,24,24-tetramethyl-13,21-diaza-20-boranonacyclo[18.14.1.02,10.03,8.012,35.014,19.022,34.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,22(34),23(31),25,27,29,32-pentadecaene has a molecular weight of 820.97 g/mol, XLogP of 14.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 17-tert-butyl-13,21-bis(4-tert-butylphenyl)-9,9,24,24-tetramethyl-13,21-diaza-20-boranonacyclo[18.14.1.02,10.03,8.012,35.014,19.022,34.023,31.025,30]pentatriaconta-1,3,5,7,10,12(35),14(19),15,17,22(34),23(31),25,27,29,32-pentadecaene is sourced from PubChem (CID 174128514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).