7,11-diphenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-oxa-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-thia-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene

C195H155B9N10OS — CID 157341597

About 7,11-diphenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-oxa-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-thia-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene

7,11-diphenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-oxa-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-thia-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene (PubChem CID 157341597) has the molecular formula C195H155B9N10OS and a molecular weight of 2783.83 g/mol. Its IUPAC name is 7,11-diphenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-oxa-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-thia-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene.

Molecular Properties

• Compound Name: 7,11-diphenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-oxa-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-thia-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene
• PubChem CID: 157341597
• Molecular Formula: C195H155B9N10OS
• Molecular Weight: 2783.83 g/mol
• Exact Mass: 2783.29
• IUPAC Name: 7,11-diphenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-oxa-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-thia-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene
• SMILES: CC(C)c1cc(C(C)C)c(B2c3ccccc3N(c3ccccc3)c3cc4c(cc32)B2c3ccccc3N3c5ccccc5B5c6c(cc(c2c63)N4c2ccccc2)-n2c3ccccc3c3cccc5c32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc4c(cc32)B2c3ccccc3N3c5ccccc5B5c6c(cc(c2c63)N4c2ccccc2)-n2c3ccccc3c3cccc5c32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Sc3cc4c(cc32)B2c3ccccc3N3c5ccccc5B5c6c(cc(c2c63)N4c2ccccc2)-n2c3ccccc3c3cccc5c32)c(C(C)C)c1
• InChI: InChI=1S/C69H55B3N4.C63H50B3N3O.C63H50B3N3S/c1-41(2)44-36-49(42(3)4)65(50(37-44)43(5)6)71-51-28-14-18-33-58(51)73(45-22-9-7-10-23-45)61-39-62-56(38-55(61)71)72-53-30-16-20-35-60(53)76-59-34-19-15-29-52(59)70-54-31-21-27-48-47-26-13-17-32-57(47)75(68(48)54)64-40-63(66(72)69(76)67(64)70)74(62)46-24-11-8-12-25-46;2*1-36(2)39-31-43(37(3)4)59(44(32-39)38(5)6)66-47-25-13-17-30-57(47)70-58-35-54-49(33-50(58)66)65-46-24-12-16-29-53(46)69-52-28-15-11-23-45(52)64-48-26-18-22-42-41-21-10-14-27-51(41)68(62(42)48)56-34-55(60(65)63(69)61(56)64)67(54)40-19-8-7-9-20-40/h7-43H,1-6H3;2*7-38H,1-6H3
• InChIKey: BGLQFGPVEJATSV-UHFFFAOYSA-N
• XLogP: 32.04
• TPSA: 46.70 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2783.83
LogP ≤ 5	32.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7,11-diphenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-oxa-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-thia-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene?

The IUPAC name of 7,11-diphenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-oxa-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-thia-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene (CID 157341597) is 7,11-diphenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-oxa-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-thia-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene.

What is the SMILES notation for 7,11-diphenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-oxa-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-thia-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene?

The canonical SMILES for 7,11-diphenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-oxa-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-thia-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene is CC(C)c1cc(C(C)C)c(B2c3ccccc3N(c3ccccc3)c3cc4c(cc32)B2c3ccccc3N3c5ccccc5B5c6c(cc(c2c63)N4c2ccccc2)-n2c3ccccc3c3cccc5c32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Oc3cc4c(cc32)B2c3ccccc3N3c5ccccc5B5c6c(cc(c2c63)N4c2ccccc2)-n2c3ccccc3c3cccc5c32)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(B2c3ccccc3Sc3cc4c(cc32)B2c3ccccc3N3c5ccccc5B5c6c(cc(c2c63)N4c2ccccc2)-n2c3ccccc3c3cccc5c32)c(C(C)C)c1.

What is the InChIKey of 7,11-diphenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-oxa-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-thia-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene?

The InChIKey is BGLQFGPVEJATSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H55B3N4.C63H50B3N3O.C63H50B3N3S/c1-41(2)44-36-49(42(3)4)65(50(37-44)43(5)6)71-51-28-14-18-33-58(51)73(45-22-9-7-10-23-45)61-39-62-56(38-55(61)71)72-53-30-16-20-35-60(53)76-59-34-19-15-29-52(59)70-54-31-21-27-48-47-26-13-17-32-57(47)75(68(48)54)64-40-63(66(72)69(76)67(64)70)74(62)46-24-11-8-12-25-46;2*1-36(2)39-31-43(37(3)4)59(44(32-39)38(5)6)66-47-25-13-17-30-57(47)70-58-35-54-49(33-50(58)66)65-46-24-12-16-29-53(46)69-52-28-15-11-23-45(52)64-48-26-18-22-42-41-21-10-14-27-51(41)68(62(42)48)56-34-55(60(65)63(69)61(56)64)67(54)40-19-8-7-9-20-40/h7-43H,1-6H3;2*7-38H,1-6H3.

What are the key properties of 7,11-diphenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-oxa-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-thia-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene?

7,11-diphenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-oxa-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-thia-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene has a molecular weight of 2783.83 g/mol, XLogP of 32.04, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7,11-diphenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-1,7,11,29-tetraza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8(21),9,12,14,16,19,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-oxa-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene;7-phenyl-18-[2,4,6-tri(propan-2-yl)phenyl]-11-thia-1,7,29-triaza-18,22,36-triboratridecacyclo[35.10.1.12,6.03,36.04,29.05,22.08,21.010,19.012,17.023,28.030,35.041,48.042,47]nonatetraconta-2(49),3,5,8,10(19),12,14,16,20,23,25,27,30,32,34,37(48),38,40,42,44,46-henicosaene is sourced from PubChem (CID 157341597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).