23-carbazol-9-yl-17-[2,6-di(propan-2-yl)phenyl]-30-phenyl-26-(4-phenylphenyl)-20,26-diaza-33-boranonacyclo[18.13.1.121,25.02,11.05,10.013,34.014,19.027,32.033,35]pentatriaconta-1,3,5,7,9,11,13(34),14(19),15,17,21(35),22,24,27(32),28,30-hexadecaene

C74H54BN3 — CID 174324290

About 23-carbazol-9-yl-17-[2,6-di(propan-2-yl)phenyl]-30-phenyl-26-(4-phenylphenyl)-20,26-diaza-33-boranonacyclo[18.13.1.121,25.02,11.05,10.013,34.014,19.027,32.033,35]pentatriaconta-1,3,5,7,9,11,13(34),14(19),15,17,21(35),22,24,27(32),28,30-hexadecaene

23-carbazol-9-yl-17-[2,6-di(propan-2-yl)phenyl]-30-phenyl-26-(4-phenylphenyl)-20,26-diaza-33-boranonacyclo[18.13.1.121,25.02,11.05,10.013,34.014,19.027,32.033,35]pentatriaconta-1,3,5,7,9,11,13(34),14(19),15,17,21(35),22,24,27(32),28,30-hexadecaene (PubChem CID 174324290) has the molecular formula C74H54BN3 and a molecular weight of 996.08 g/mol. Its IUPAC name is 23-carbazol-9-yl-17-[2,6-di(propan-2-yl)phenyl]-30-phenyl-26-(4-phenylphenyl)-20,26-diaza-33-boranonacyclo[18.13.1.121,25.02,11.05,10.013,34.014,19.027,32.033,35]pentatriaconta-1,3,5,7,9,11,13(34),14(19),15,17,21(35),22,24,27(32),28,30-hexadecaene.

Molecular Properties

• Compound Name: 23-carbazol-9-yl-17-[2,6-di(propan-2-yl)phenyl]-30-phenyl-26-(4-phenylphenyl)-20,26-diaza-33-boranonacyclo[18.13.1.121,25.02,11.05,10.013,34.014,19.027,32.033,35]pentatriaconta-1,3,5,7,9,11,13(34),14(19),15,17,21(35),22,24,27(32),28,30-hexadecaene
• PubChem CID: 174324290
• Molecular Formula: C74H54BN3
• Molecular Weight: 996.08 g/mol
• Exact Mass: 995.44
• IUPAC Name: 23-carbazol-9-yl-17-[2,6-di(propan-2-yl)phenyl]-30-phenyl-26-(4-phenylphenyl)-20,26-diaza-33-boranonacyclo[18.13.1.121,25.02,11.05,10.013,34.014,19.027,32.033,35]pentatriaconta-1,3,5,7,9,11,13(34),14(19),15,17,21(35),22,24,27(32),28,30-hexadecaene
• SMILES: CC(C)c1cccc(C(C)C)c1-c1ccc2c3cc4c(ccc5ccccc54)c4c3n(c2c1)-c1cc(-n2c3ccccc3c3ccccc32)cc2c1B4c1cc(-c3ccccc3)ccc1N2c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C74H54BN3/c1-45(2)55-26-17-27-56(46(3)4)71(55)52-33-37-60-63-44-62-57-23-12-11-22-50(57)32-38-61(62)72-74(63)78(68(60)41-52)70-43-54(77-65-28-15-13-24-58(65)59-25-14-16-29-66(59)77)42-69-73(70)75(72)64-40-51(48-20-9-6-10-21-48)34-39-67(64)76(69)53-35-30-49(31-36-53)47-18-7-5-8-19-47/h5-46H,1-4H3
• InChIKey: YXCXLFGLXPBJEK-UHFFFAOYSA-N
• XLogP: 18.05
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	996.08
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 23-carbazol-9-yl-17-[2,6-di(propan-2-yl)phenyl]-30-phenyl-26-(4-phenylphenyl)-20,26-diaza-33-boranonacyclo[18.13.1.121,25.02,11.05,10.013,34.014,19.027,32.033,35]pentatriaconta-1,3,5,7,9,11,13(34),14(19),15,17,21(35),22,24,27(32),28,30-hexadecaene?

The IUPAC name of 23-carbazol-9-yl-17-[2,6-di(propan-2-yl)phenyl]-30-phenyl-26-(4-phenylphenyl)-20,26-diaza-33-boranonacyclo[18.13.1.121,25.02,11.05,10.013,34.014,19.027,32.033,35]pentatriaconta-1,3,5,7,9,11,13(34),14(19),15,17,21(35),22,24,27(32),28,30-hexadecaene (CID 174324290) is 23-carbazol-9-yl-17-[2,6-di(propan-2-yl)phenyl]-30-phenyl-26-(4-phenylphenyl)-20,26-diaza-33-boranonacyclo[18.13.1.121,25.02,11.05,10.013,34.014,19.027,32.033,35]pentatriaconta-1,3,5,7,9,11,13(34),14(19),15,17,21(35),22,24,27(32),28,30-hexadecaene.

What is the SMILES notation for 23-carbazol-9-yl-17-[2,6-di(propan-2-yl)phenyl]-30-phenyl-26-(4-phenylphenyl)-20,26-diaza-33-boranonacyclo[18.13.1.121,25.02,11.05,10.013,34.014,19.027,32.033,35]pentatriaconta-1,3,5,7,9,11,13(34),14(19),15,17,21(35),22,24,27(32),28,30-hexadecaene?

The canonical SMILES for 23-carbazol-9-yl-17-[2,6-di(propan-2-yl)phenyl]-30-phenyl-26-(4-phenylphenyl)-20,26-diaza-33-boranonacyclo[18.13.1.121,25.02,11.05,10.013,34.014,19.027,32.033,35]pentatriaconta-1,3,5,7,9,11,13(34),14(19),15,17,21(35),22,24,27(32),28,30-hexadecaene is CC(C)c1cccc(C(C)C)c1-c1ccc2c3cc4c(ccc5ccccc54)c4c3n(c2c1)-c1cc(-n2c3ccccc3c3ccccc32)cc2c1B4c1cc(-c3ccccc3)ccc1N2c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 23-carbazol-9-yl-17-[2,6-di(propan-2-yl)phenyl]-30-phenyl-26-(4-phenylphenyl)-20,26-diaza-33-boranonacyclo[18.13.1.121,25.02,11.05,10.013,34.014,19.027,32.033,35]pentatriaconta-1,3,5,7,9,11,13(34),14(19),15,17,21(35),22,24,27(32),28,30-hexadecaene?

The InChIKey is YXCXLFGLXPBJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H54BN3/c1-45(2)55-26-17-27-56(46(3)4)71(55)52-33-37-60-63-44-62-57-23-12-11-22-50(57)32-38-61(62)72-74(63)78(68(60)41-52)70-43-54(77-65-28-15-13-24-58(65)59-25-14-16-29-66(59)77)42-69-73(70)75(72)64-40-51(48-20-9-6-10-21-48)34-39-67(64)76(69)53-35-30-49(31-36-53)47-18-7-5-8-19-47/h5-46H,1-4H3.

What are the key properties of 23-carbazol-9-yl-17-[2,6-di(propan-2-yl)phenyl]-30-phenyl-26-(4-phenylphenyl)-20,26-diaza-33-boranonacyclo[18.13.1.121,25.02,11.05,10.013,34.014,19.027,32.033,35]pentatriaconta-1,3,5,7,9,11,13(34),14(19),15,17,21(35),22,24,27(32),28,30-hexadecaene?

23-carbazol-9-yl-17-[2,6-di(propan-2-yl)phenyl]-30-phenyl-26-(4-phenylphenyl)-20,26-diaza-33-boranonacyclo[18.13.1.121,25.02,11.05,10.013,34.014,19.027,32.033,35]pentatriaconta-1,3,5,7,9,11,13(34),14(19),15,17,21(35),22,24,27(32),28,30-hexadecaene has a molecular weight of 996.08 g/mol, XLogP of 18.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 23-carbazol-9-yl-17-[2,6-di(propan-2-yl)phenyl]-30-phenyl-26-(4-phenylphenyl)-20,26-diaza-33-boranonacyclo[18.13.1.121,25.02,11.05,10.013,34.014,19.027,32.033,35]pentatriaconta-1,3,5,7,9,11,13(34),14(19),15,17,21(35),22,24,27(32),28,30-hexadecaene is sourced from PubChem (CID 174324290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).