4,17-ditert-butyl-N,N-bis(4-tert-butylphenyl)-14-(4-dibenzofuran-4-ylphenyl)-8-[4-[1-[6-[4-[4,17-ditert-butyl-11-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-11-amine

C148H150B2N6O2 — CID 174291053

About 4,17-ditert-butyl-N,N-bis(4-tert-butylphenyl)-14-(4-dibenzofuran-4-ylphenyl)-8-[4-[1-[6-[4-[4,17-ditert-butyl-11-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-11-amine

4,17-ditert-butyl-N,N-bis(4-tert-butylphenyl)-14-(4-dibenzofuran-4-ylphenyl)-8-[4-[1-[6-[4-[4,17-ditert-butyl-11-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-11-amine (PubChem CID 174291053) has the molecular formula C148H150B2N6O2 and a molecular weight of 2066.49 g/mol. Its IUPAC name is 4,17-ditert-butyl-N,N-bis(4-tert-butylphenyl)-14-(4-dibenzofuran-4-ylphenyl)-8-[4-[1-[6-[4-[4,17-ditert-butyl-11-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-11-amine.

Molecular Properties

• Compound Name: 4,17-ditert-butyl-N,N-bis(4-tert-butylphenyl)-14-(4-dibenzofuran-4-ylphenyl)-8-[4-[1-[6-[4-[4,17-ditert-butyl-11-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-11-amine
• PubChem CID: 174291053
• Molecular Formula: C148H150B2N6O2
• Molecular Weight: 2066.49 g/mol
• Exact Mass: 2065.20
• IUPAC Name: 4,17-ditert-butyl-N,N-bis(4-tert-butylphenyl)-14-(4-dibenzofuran-4-ylphenyl)-8-[4-[1-[6-[4-[4,17-ditert-butyl-11-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-11-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)N(c2ccc(-c5cccc6c5oc5ccccc56)cc2)c2cc(C(C)(C)C)ccc2B4c2cc(C(C)(C)C)ccc2N3c2ccc(C(C)(C)Cc3ccc4oc5c(-c6ccc(N7c8ccc(C(C)(C)C)cc8B8c9ccc(C(C)(C)C)cc9N(c9ccc(C(C)(C)C)cc9)c9cc(N(c%10ccc(C(C)(C)C)cc%10)c%10ccc(C(C)(C)C)cc%10)cc7c98)cc6)cccc5c4c3)cc2)cc1
• InChI: InChI=1S/C148H150B2N6O2/c1-139(2,3)95-45-65-105(66-46-95)151(106-67-47-96(48-68-106)140(4,5)6)113-87-129-135-132(90-113)156(112-73-53-99(54-74-112)143(13,14)15)128-86-104(147(25,26)27)58-78-122(128)150(135)123-83-101(144(16,17)18)59-79-125(123)153(129)109-61-41-94(42-62-109)116-36-33-38-119-120-82-92(40-81-134(120)158-138(116)119)91-148(28,29)100-55-75-111(76-56-100)154-126-80-60-102(145(19,20)21)84-124(126)149-121-77-57-103(146(22,23)24)85-127(121)155(110-63-43-93(44-64-110)115-35-32-37-118-117-34-30-31-39-133(117)157-137(115)118)131-89-114(88-130(154)136(131)149)152(107-69-49-97(50-70-107)141(7,8)9)108-71-51-98(52-72-108)142(10,11)12/h30-90H,91H2,1-29H3
• InChIKey: CGTQTYUUHHQRFU-UHFFFAOYSA-N
• XLogP: 38.12
• TPSA: 45.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2066.49
LogP ≤ 5	38.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,17-ditert-butyl-N,N-bis(4-tert-butylphenyl)-14-(4-dibenzofuran-4-ylphenyl)-8-[4-[1-[6-[4-[4,17-ditert-butyl-11-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-11-amine?

The IUPAC name of 4,17-ditert-butyl-N,N-bis(4-tert-butylphenyl)-14-(4-dibenzofuran-4-ylphenyl)-8-[4-[1-[6-[4-[4,17-ditert-butyl-11-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-11-amine (CID 174291053) is 4,17-ditert-butyl-N,N-bis(4-tert-butylphenyl)-14-(4-dibenzofuran-4-ylphenyl)-8-[4-[1-[6-[4-[4,17-ditert-butyl-11-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-11-amine.

What is the SMILES notation for 4,17-ditert-butyl-N,N-bis(4-tert-butylphenyl)-14-(4-dibenzofuran-4-ylphenyl)-8-[4-[1-[6-[4-[4,17-ditert-butyl-11-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-11-amine?

The canonical SMILES for 4,17-ditert-butyl-N,N-bis(4-tert-butylphenyl)-14-(4-dibenzofuran-4-ylphenyl)-8-[4-[1-[6-[4-[4,17-ditert-butyl-11-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-11-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)N(c2ccc(-c5cccc6c5oc5ccccc56)cc2)c2cc(C(C)(C)C)ccc2B4c2cc(C(C)(C)C)ccc2N3c2ccc(C(C)(C)Cc3ccc4oc5c(-c6ccc(N7c8ccc(C(C)(C)C)cc8B8c9ccc(C(C)(C)C)cc9N(c9ccc(C(C)(C)C)cc9)c9cc(N(c%10ccc(C(C)(C)C)cc%10)c%10ccc(C(C)(C)C)cc%10)cc7c98)cc6)cccc5c4c3)cc2)cc1.

What is the InChIKey of 4,17-ditert-butyl-N,N-bis(4-tert-butylphenyl)-14-(4-dibenzofuran-4-ylphenyl)-8-[4-[1-[6-[4-[4,17-ditert-butyl-11-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-11-amine?

The InChIKey is CGTQTYUUHHQRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C148H150B2N6O2/c1-139(2,3)95-45-65-105(66-46-95)151(106-67-47-96(48-68-106)140(4,5)6)113-87-129-135-132(90-113)156(112-73-53-99(54-74-112)143(13,14)15)128-86-104(147(25,26)27)58-78-122(128)150(135)123-83-101(144(16,17)18)59-79-125(123)153(129)109-61-41-94(42-62-109)116-36-33-38-119-120-82-92(40-81-134(120)158-138(116)119)91-148(28,29)100-55-75-111(76-56-100)154-126-80-60-102(145(19,20)21)84-124(126)149-121-77-57-103(146(22,23)24)85-127(121)155(110-63-43-93(44-64-110)115-35-32-37-118-117-34-30-31-39-133(117)157-137(115)118)131-89-114(88-130(154)136(131)149)152(107-69-49-97(50-70-107)141(7,8)9)108-71-51-98(52-72-108)142(10,11)12/h30-90H,91H2,1-29H3.

What are the key properties of 4,17-ditert-butyl-N,N-bis(4-tert-butylphenyl)-14-(4-dibenzofuran-4-ylphenyl)-8-[4-[1-[6-[4-[4,17-ditert-butyl-11-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-11-amine?

4,17-ditert-butyl-N,N-bis(4-tert-butylphenyl)-14-(4-dibenzofuran-4-ylphenyl)-8-[4-[1-[6-[4-[4,17-ditert-butyl-11-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-11-amine has a molecular weight of 2066.49 g/mol, XLogP of 38.12, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4,17-ditert-butyl-N,N-bis(4-tert-butylphenyl)-14-(4-dibenzofuran-4-ylphenyl)-8-[4-[1-[6-[4-[4,17-ditert-butyl-11-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-14-(4-tert-butylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]dibenzofuran-2-yl]-2-methylpropan-2-yl]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-11-amine is sourced from PubChem (CID 174291053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).