15,21-ditert-butyl-12-(4-dibenzofuran-4-ylphenyl)-18-[9-[[6-[4-[15,22-ditert-butyl-18-(9,9-dimethylfluoren-2-yl)-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaen-12-yl]phenyl]dibenzofuran-2-yl]methyl]-9-methylfluoren-2-yl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene

C134H128B2N4O2 — CID 174291906

About 15,21-ditert-butyl-12-(4-dibenzofuran-4-ylphenyl)-18-[9-[[6-[4-[15,22-ditert-butyl-18-(9,9-dimethylfluoren-2-yl)-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaen-12-yl]phenyl]dibenzofuran-2-yl]methyl]-9-methylfluoren-2-yl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene

15,21-ditert-butyl-12-(4-dibenzofuran-4-ylphenyl)-18-[9-[[6-[4-[15,22-ditert-butyl-18-(9,9-dimethylfluoren-2-yl)-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaen-12-yl]phenyl]dibenzofuran-2-yl]methyl]-9-methylfluoren-2-yl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene (PubChem CID 174291906) has the molecular formula C134H128B2N4O2 and a molecular weight of 1848.15 g/mol. Its IUPAC name is 15,21-ditert-butyl-12-(4-dibenzofuran-4-ylphenyl)-18-[9-[[6-[4-[15,22-ditert-butyl-18-(9,9-dimethylfluoren-2-yl)-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaen-12-yl]phenyl]dibenzofuran-2-yl]methyl]-9-methylfluoren-2-yl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene.

Molecular Properties

• Compound Name: 15,21-ditert-butyl-12-(4-dibenzofuran-4-ylphenyl)-18-[9-[[6-[4-[15,22-ditert-butyl-18-(9,9-dimethylfluoren-2-yl)-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaen-12-yl]phenyl]dibenzofuran-2-yl]methyl]-9-methylfluoren-2-yl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene
• PubChem CID: 174291906
• Molecular Formula: C134H128B2N4O2
• Molecular Weight: 1848.15 g/mol
• Exact Mass: 1847.02
• IUPAC Name: 15,21-ditert-butyl-12-(4-dibenzofuran-4-ylphenyl)-18-[9-[[6-[4-[15,22-ditert-butyl-18-(9,9-dimethylfluoren-2-yl)-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaen-12-yl]phenyl]dibenzofuran-2-yl]methyl]-9-methylfluoren-2-yl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene
• SMILES: CC(C)(C)c1ccc2c(c1)B1c3cc4c(cc3N(c3ccc(-c5cccc6c5oc5ccc(CC7(C)c8ccccc8-c8ccc(N9c%10cc(C(C)(C)C)ccc%10B%10c%11cc%12c(cc%11N(c%11ccc(-c%13cccc%14c%13oc%13ccccc%13%14)cc%11)c%11cc(C(C)(C)C)cc9c%11%10)C(C)(C)CCC%12(C)C)cc87)cc56)cc3)c3cc(C(C)(C)C)cc(c31)N2c1ccc2c(c1)C(C)(C)c1ccccc1-2)C(C)(C)CCC4(C)C
• InChI: InChI=1S/C134H128B2N4O2/c1-125(2,3)81-48-58-111-108(65-81)136-110-74-104-106(132(19,20)63-61-130(104,15)16)76-114(110)138(116-68-83(127(7,8)9)69-117(122(116)136)139(111)87-53-55-93-91-32-24-27-39-99(91)133(21,22)101(93)71-87)86-51-45-80(46-52-86)90-36-31-38-97-98-64-78(42-59-120(98)142-124(90)97)77-134(23)100-40-28-25-33-92(100)94-56-54-88(72-102(94)134)140-112-66-82(126(4,5)6)47-57-107(112)135-109-73-103-105(131(17,18)62-60-129(103,13)14)75-113(109)137(115-67-84(128(10,11)12)70-118(140)121(115)135)85-49-43-79(44-50-85)89-35-30-37-96-95-34-26-29-41-119(95)141-123(89)96/h24-59,64-76H,60-63,77H2,1-23H3
• InChIKey: BYJJTWQGEYRXCJ-UHFFFAOYSA-N
• XLogP: 32.71
• TPSA: 39.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1848.15
LogP ≤ 5	32.71
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 15,21-ditert-butyl-12-(4-dibenzofuran-4-ylphenyl)-18-[9-[[6-[4-[15,22-ditert-butyl-18-(9,9-dimethylfluoren-2-yl)-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaen-12-yl]phenyl]dibenzofuran-2-yl]methyl]-9-methylfluoren-2-yl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene?

The IUPAC name of 15,21-ditert-butyl-12-(4-dibenzofuran-4-ylphenyl)-18-[9-[[6-[4-[15,22-ditert-butyl-18-(9,9-dimethylfluoren-2-yl)-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaen-12-yl]phenyl]dibenzofuran-2-yl]methyl]-9-methylfluoren-2-yl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene (CID 174291906) is 15,21-ditert-butyl-12-(4-dibenzofuran-4-ylphenyl)-18-[9-[[6-[4-[15,22-ditert-butyl-18-(9,9-dimethylfluoren-2-yl)-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaen-12-yl]phenyl]dibenzofuran-2-yl]methyl]-9-methylfluoren-2-yl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene.

What is the SMILES notation for 15,21-ditert-butyl-12-(4-dibenzofuran-4-ylphenyl)-18-[9-[[6-[4-[15,22-ditert-butyl-18-(9,9-dimethylfluoren-2-yl)-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaen-12-yl]phenyl]dibenzofuran-2-yl]methyl]-9-methylfluoren-2-yl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene?

The canonical SMILES for 15,21-ditert-butyl-12-(4-dibenzofuran-4-ylphenyl)-18-[9-[[6-[4-[15,22-ditert-butyl-18-(9,9-dimethylfluoren-2-yl)-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaen-12-yl]phenyl]dibenzofuran-2-yl]methyl]-9-methylfluoren-2-yl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene is CC(C)(C)c1ccc2c(c1)B1c3cc4c(cc3N(c3ccc(-c5cccc6c5oc5ccc(CC7(C)c8ccccc8-c8ccc(N9c%10cc(C(C)(C)C)ccc%10B%10c%11cc%12c(cc%11N(c%11ccc(-c%13cccc%14c%13oc%13ccccc%13%14)cc%11)c%11cc(C(C)(C)C)cc9c%11%10)C(C)(C)CCC%12(C)C)cc87)cc56)cc3)c3cc(C(C)(C)C)cc(c31)N2c1ccc2c(c1)C(C)(C)c1ccccc1-2)C(C)(C)CCC4(C)C.

What is the InChIKey of 15,21-ditert-butyl-12-(4-dibenzofuran-4-ylphenyl)-18-[9-[[6-[4-[15,22-ditert-butyl-18-(9,9-dimethylfluoren-2-yl)-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaen-12-yl]phenyl]dibenzofuran-2-yl]methyl]-9-methylfluoren-2-yl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene?

The InChIKey is BYJJTWQGEYRXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C134H128B2N4O2/c1-125(2,3)81-48-58-111-108(65-81)136-110-74-104-106(132(19,20)63-61-130(104,15)16)76-114(110)138(116-68-83(127(7,8)9)69-117(122(116)136)139(111)87-53-55-93-91-32-24-27-39-99(91)133(21,22)101(93)71-87)86-51-45-80(46-52-86)90-36-31-38-97-98-64-78(42-59-120(98)142-124(90)97)77-134(23)100-40-28-25-33-92(100)94-56-54-88(72-102(94)134)140-112-66-82(126(4,5)6)47-57-107(112)135-109-73-103-105(131(17,18)62-60-129(103,13)14)75-113(109)137(115-67-84(128(10,11)12)70-118(140)121(115)135)85-49-43-79(44-50-85)89-35-30-37-96-95-34-26-29-41-119(95)141-123(89)96/h24-59,64-76H,60-63,77H2,1-23H3.

What are the key properties of 15,21-ditert-butyl-12-(4-dibenzofuran-4-ylphenyl)-18-[9-[[6-[4-[15,22-ditert-butyl-18-(9,9-dimethylfluoren-2-yl)-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaen-12-yl]phenyl]dibenzofuran-2-yl]methyl]-9-methylfluoren-2-yl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene?

15,21-ditert-butyl-12-(4-dibenzofuran-4-ylphenyl)-18-[9-[[6-[4-[15,22-ditert-butyl-18-(9,9-dimethylfluoren-2-yl)-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaen-12-yl]phenyl]dibenzofuran-2-yl]methyl]-9-methylfluoren-2-yl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene has a molecular weight of 1848.15 g/mol, XLogP of 32.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 15,21-ditert-butyl-12-(4-dibenzofuran-4-ylphenyl)-18-[9-[[6-[4-[15,22-ditert-butyl-18-(9,9-dimethylfluoren-2-yl)-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaen-12-yl]phenyl]dibenzofuran-2-yl]methyl]-9-methylfluoren-2-yl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene is sourced from PubChem (CID 174291906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).