4-tert-butyl-26-[5-[4-(4-tert-butyl-N-[4,26-ditert-butyl-19-(4-tert-butyl-2-phenylphenyl)-7,12,29,29-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),23(28),24,26,31-dodecaen-16-yl]anilino)phenyl]-2,5-dimethylhexan-2-yl]-N,N-bis(4-tert-butylphenyl)-19-(4-tert-butyl-2-phenylphenyl)-7,12,23,23-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),24(29),25,27,31-dodecaen-16-amine

C158H178B2N6 — CID 174027897

About 4-tert-butyl-26-[5-[4-(4-tert-butyl-N-[4,26-ditert-butyl-19-(4-tert-butyl-2-phenylphenyl)-7,12,29,29-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),23(28),24,26,31-dodecaen-16-yl]anilino)phenyl]-2,5-dimethylhexan-2-yl]-N,N-bis(4-tert-butylphenyl)-19-(4-tert-butyl-2-phenylphenyl)-7,12,23,23-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),24(29),25,27,31-dodecaen-16-amine

4-tert-butyl-26-[5-[4-(4-tert-butyl-N-[4,26-ditert-butyl-19-(4-tert-butyl-2-phenylphenyl)-7,12,29,29-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),23(28),24,26,31-dodecaen-16-yl]anilino)phenyl]-2,5-dimethylhexan-2-yl]-N,N-bis(4-tert-butylphenyl)-19-(4-tert-butyl-2-phenylphenyl)-7,12,23,23-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),24(29),25,27,31-dodecaen-16-amine (PubChem CID 174027897) has the molecular formula C158H178B2N6 and a molecular weight of 2182.83 g/mol. Its IUPAC name is 4-tert-butyl-26-[5-[4-(4-tert-butyl-N-[4,26-ditert-butyl-19-(4-tert-butyl-2-phenylphenyl)-7,12,29,29-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),23(28),24,26,31-dodecaen-16-yl]anilino)phenyl]-2,5-dimethylhexan-2-yl]-N,N-bis(4-tert-butylphenyl)-19-(4-tert-butyl-2-phenylphenyl)-7,12,23,23-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),24(29),25,27,31-dodecaen-16-amine.

Molecular Properties

• Compound Name: 4-tert-butyl-26-[5-[4-(4-tert-butyl-N-[4,26-ditert-butyl-19-(4-tert-butyl-2-phenylphenyl)-7,12,29,29-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),23(28),24,26,31-dodecaen-16-yl]anilino)phenyl]-2,5-dimethylhexan-2-yl]-N,N-bis(4-tert-butylphenyl)-19-(4-tert-butyl-2-phenylphenyl)-7,12,23,23-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),24(29),25,27,31-dodecaen-16-amine
• PubChem CID: 174027897
• Molecular Formula: C158H178B2N6
• Molecular Weight: 2182.83 g/mol
• Exact Mass: 2181.43
• IUPAC Name: 4-tert-butyl-26-[5-[4-(4-tert-butyl-N-[4,26-ditert-butyl-19-(4-tert-butyl-2-phenylphenyl)-7,12,29,29-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),23(28),24,26,31-dodecaen-16-yl]anilino)phenyl]-2,5-dimethylhexan-2-yl]-N,N-bis(4-tert-butylphenyl)-19-(4-tert-butyl-2-phenylphenyl)-7,12,23,23-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),24(29),25,27,31-dodecaen-16-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)CCC(C)(C)c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)B3c4cc(C(C)(C)C)cc6c4N(c4cc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)cc(c43)N5c3ccc(C(C)(C)C)cc3-c3ccccc3)C3(C)CCCCC63C)cc2)c2cc3c4c(c2)N2c5c(cc(C(C)(C)C)cc5C5(C)CCCCC25C)B4c2cc4c(cc2N3c2ccc(C(C)(C)C)cc2-c2ccccc2)-c2ccc(C(C)(C)C)cc2C4(C)C)cc1
• InChI: InChI=1S/C158H178B2N6/c1-143(2,3)99-51-63-109(64-52-99)161(110-65-53-100(54-66-110)144(4,5)6)114-90-136-139-137(91-114)165-141-125(155(33)75-43-45-77-157(155,165)35)85-107(149(19,20)21)87-129(141)159(139)127-93-119-115-72-60-106(84-122(115)154(31,32)124(119)96-134(127)164(136)132-74-62-104(147(13,14)15)82-118(132)98-49-41-38-42-50-98)152(27,28)80-79-151(25,26)102-57-69-112(70-58-102)162(111-67-55-101(56-68-111)145(7,8)9)113-89-135-140-138(92-113)166-142-126(156(34)76-44-46-78-158(156,166)36)86-108(150(22,23)24)88-130(142)160(140)128-95-123-120(116-71-59-105(148(16,17)18)83-121(116)153(123,29)30)94-133(128)163(135)131-73-61-103(146(10,11)12)81-117(131)97-47-39-37-40-48-97/h37-42,47-74,81-96H,43-46,75-80H2,1-36H3
• InChIKey: ZBIFYQALCQCARD-UHFFFAOYSA-N
• XLogP: 39.70
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2182.83
LogP ≤ 5	39.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-26-[5-[4-(4-tert-butyl-N-[4,26-ditert-butyl-19-(4-tert-butyl-2-phenylphenyl)-7,12,29,29-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),23(28),24,26,31-dodecaen-16-yl]anilino)phenyl]-2,5-dimethylhexan-2-yl]-N,N-bis(4-tert-butylphenyl)-19-(4-tert-butyl-2-phenylphenyl)-7,12,23,23-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),24(29),25,27,31-dodecaen-16-amine?

The IUPAC name of 4-tert-butyl-26-[5-[4-(4-tert-butyl-N-[4,26-ditert-butyl-19-(4-tert-butyl-2-phenylphenyl)-7,12,29,29-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),23(28),24,26,31-dodecaen-16-yl]anilino)phenyl]-2,5-dimethylhexan-2-yl]-N,N-bis(4-tert-butylphenyl)-19-(4-tert-butyl-2-phenylphenyl)-7,12,23,23-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),24(29),25,27,31-dodecaen-16-amine (CID 174027897) is 4-tert-butyl-26-[5-[4-(4-tert-butyl-N-[4,26-ditert-butyl-19-(4-tert-butyl-2-phenylphenyl)-7,12,29,29-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),23(28),24,26,31-dodecaen-16-yl]anilino)phenyl]-2,5-dimethylhexan-2-yl]-N,N-bis(4-tert-butylphenyl)-19-(4-tert-butyl-2-phenylphenyl)-7,12,23,23-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),24(29),25,27,31-dodecaen-16-amine.

What is the SMILES notation for 4-tert-butyl-26-[5-[4-(4-tert-butyl-N-[4,26-ditert-butyl-19-(4-tert-butyl-2-phenylphenyl)-7,12,29,29-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),23(28),24,26,31-dodecaen-16-yl]anilino)phenyl]-2,5-dimethylhexan-2-yl]-N,N-bis(4-tert-butylphenyl)-19-(4-tert-butyl-2-phenylphenyl)-7,12,23,23-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),24(29),25,27,31-dodecaen-16-amine?

The canonical SMILES for 4-tert-butyl-26-[5-[4-(4-tert-butyl-N-[4,26-ditert-butyl-19-(4-tert-butyl-2-phenylphenyl)-7,12,29,29-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),23(28),24,26,31-dodecaen-16-yl]anilino)phenyl]-2,5-dimethylhexan-2-yl]-N,N-bis(4-tert-butylphenyl)-19-(4-tert-butyl-2-phenylphenyl)-7,12,23,23-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),24(29),25,27,31-dodecaen-16-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)CCC(C)(C)c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)B3c4cc(C(C)(C)C)cc6c4N(c4cc(N(c7ccc(C(C)(C)C)cc7)c7ccc(C(C)(C)C)cc7)cc(c43)N5c3ccc(C(C)(C)C)cc3-c3ccccc3)C3(C)CCCCC63C)cc2)c2cc3c4c(c2)N2c5c(cc(C(C)(C)C)cc5C5(C)CCCCC25C)B4c2cc4c(cc2N3c2ccc(C(C)(C)C)cc2-c2ccccc2)-c2ccc(C(C)(C)C)cc2C4(C)C)cc1.

What is the InChIKey of 4-tert-butyl-26-[5-[4-(4-tert-butyl-N-[4,26-ditert-butyl-19-(4-tert-butyl-2-phenylphenyl)-7,12,29,29-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),23(28),24,26,31-dodecaen-16-yl]anilino)phenyl]-2,5-dimethylhexan-2-yl]-N,N-bis(4-tert-butylphenyl)-19-(4-tert-butyl-2-phenylphenyl)-7,12,23,23-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),24(29),25,27,31-dodecaen-16-amine?

The InChIKey is ZBIFYQALCQCARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C158H178B2N6/c1-143(2,3)99-51-63-109(64-52-99)161(110-65-53-100(54-66-110)144(4,5)6)114-90-136-139-137(91-114)165-141-125(155(33)75-43-45-77-157(155,165)35)85-107(149(19,20)21)87-129(141)159(139)127-93-119-115-72-60-106(84-122(115)154(31,32)124(119)96-134(127)164(136)132-74-62-104(147(13,14)15)82-118(132)98-49-41-38-42-50-98)152(27,28)80-79-151(25,26)102-57-69-112(70-58-102)162(111-67-55-101(56-68-111)145(7,8)9)113-89-135-140-138(92-113)166-142-126(156(34)76-44-46-78-158(156,166)36)86-108(150(22,23)24)88-130(142)160(140)128-95-123-120(116-71-59-105(148(16,17)18)83-121(116)153(123,29)30)94-133(128)163(135)131-73-61-103(146(10,11)12)81-117(131)97-47-39-37-40-48-97/h37-42,47-74,81-96H,43-46,75-80H2,1-36H3.

What are the key properties of 4-tert-butyl-26-[5-[4-(4-tert-butyl-N-[4,26-ditert-butyl-19-(4-tert-butyl-2-phenylphenyl)-7,12,29,29-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),23(28),24,26,31-dodecaen-16-yl]anilino)phenyl]-2,5-dimethylhexan-2-yl]-N,N-bis(4-tert-butylphenyl)-19-(4-tert-butyl-2-phenylphenyl)-7,12,23,23-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),24(29),25,27,31-dodecaen-16-amine?

4-tert-butyl-26-[5-[4-(4-tert-butyl-N-[4,26-ditert-butyl-19-(4-tert-butyl-2-phenylphenyl)-7,12,29,29-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),23(28),24,26,31-dodecaen-16-yl]anilino)phenyl]-2,5-dimethylhexan-2-yl]-N,N-bis(4-tert-butylphenyl)-19-(4-tert-butyl-2-phenylphenyl)-7,12,23,23-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),24(29),25,27,31-dodecaen-16-amine has a molecular weight of 2182.83 g/mol, XLogP of 39.70, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-26-[5-[4-(4-tert-butyl-N-[4,26-ditert-butyl-19-(4-tert-butyl-2-phenylphenyl)-7,12,29,29-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.023,28.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),23(28),24,26,31-dodecaen-16-yl]anilino)phenyl]-2,5-dimethylhexan-2-yl]-N,N-bis(4-tert-butylphenyl)-19-(4-tert-butyl-2-phenylphenyl)-7,12,23,23-tetramethyl-13,19-diaza-1-boranonacyclo[16.14.1.12,6.07,12.014,33.020,32.022,30.024,29.013,34]tetratriaconta-2,4,6(34),14,16,18(33),20,22(30),24(29),25,27,31-dodecaen-16-amine is sourced from PubChem (CID 174027897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).