19-carbazol-9-yl-12,16,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene

C69H58B2N4 — CID 155654334

About 19-carbazol-9-yl-12,16,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene

19-carbazol-9-yl-12,16,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene (PubChem CID 155654334) has the molecular formula C69H58B2N4 and a molecular weight of 964.88 g/mol. Its IUPAC name is 19-carbazol-9-yl-12,16,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene.

Molecular Properties

• Compound Name: 19-carbazol-9-yl-12,16,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene
• PubChem CID: 155654334
• Molecular Formula: C69H58B2N4
• Molecular Weight: 964.88 g/mol
• Exact Mass: 964.48
• IUPAC Name: 19-carbazol-9-yl-12,16,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene
• SMILES: CC(C)c1cc(C(C)C)c(B2c3ccccc3N(c3ccccc3)c3cc4c(cc32)B2c3ccccc3N(c3ccccc3)c3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2ccccc2)c(C(C)C)c1
• InChI: InChI=1S/C69H58B2N4/c1-44(2)47-38-54(45(3)4)68(55(39-47)46(5)6)70-56-32-18-22-36-62(56)72(48-24-10-7-11-25-48)64-43-65-59(42-58(64)70)71-57-33-19-23-37-63(57)73(49-26-12-8-13-27-49)66-40-51(41-67(69(66)71)74(65)50-28-14-9-15-29-50)75-60-34-20-16-30-52(60)53-31-17-21-35-61(53)75/h7-46H,1-6H3
• InChIKey: JLCFVAGEYYMLNM-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	964.88
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19-carbazol-9-yl-12,16,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene?

The IUPAC name of 19-carbazol-9-yl-12,16,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene (CID 155654334) is 19-carbazol-9-yl-12,16,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene.

What is the SMILES notation for 19-carbazol-9-yl-12,16,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene?

The canonical SMILES for 19-carbazol-9-yl-12,16,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene is CC(C)c1cc(C(C)C)c(B2c3ccccc3N(c3ccccc3)c3cc4c(cc32)B2c3ccccc3N(c3ccccc3)c3cc(-n5c6ccccc6c6ccccc65)cc(c32)N4c2ccccc2)c(C(C)C)c1.

What is the InChIKey of 19-carbazol-9-yl-12,16,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene?

The InChIKey is JLCFVAGEYYMLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H58B2N4/c1-44(2)47-38-54(45(3)4)68(55(39-47)46(5)6)70-56-32-18-22-36-62(56)72(48-24-10-7-11-25-48)64-43-65-59(42-58(64)70)71-57-33-19-23-37-63(57)73(49-26-12-8-13-27-49)66-40-51(41-67(69(66)71)74(65)50-28-14-9-15-29-50)75-60-34-20-16-30-52(60)53-31-17-21-35-61(53)75/h7-46H,1-6H3.

What are the key properties of 19-carbazol-9-yl-12,16,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene?

19-carbazol-9-yl-12,16,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene has a molecular weight of 964.88 g/mol, XLogP of 14.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 19-carbazol-9-yl-12,16,22-triphenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-12,16,22-triaza-1,5-diboraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2(15),3,6,8,10,13,17,19,21(29),23,25,27-dodecaene is sourced from PubChem (CID 155654334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).