N-(9,9-dimethylfluoren-4-yl)-N,6,15,21,30-pentakis-phenyl-6,15,21,30-tetraza-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaen-18-amine

C75H52BN5 — CID 155625423

About N-(9,9-dimethylfluoren-4-yl)-N,6,15,21,30-pentakis-phenyl-6,15,21,30-tetraza-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaen-18-amine

N-(9,9-dimethylfluoren-4-yl)-N,6,15,21,30-pentakis-phenyl-6,15,21,30-tetraza-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaen-18-amine (PubChem CID 155625423) has the molecular formula C75H52BN5 and a molecular weight of 1034.09 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N,6,15,21,30-pentakis-phenyl-6,15,21,30-tetraza-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaen-18-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-4-yl)-N,6,15,21,30-pentakis-phenyl-6,15,21,30-tetraza-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaen-18-amine
• PubChem CID: 155625423
• Molecular Formula: C75H52BN5
• Molecular Weight: 1034.09 g/mol
• Exact Mass: 1033.43
• IUPAC Name: N-(9,9-dimethylfluoren-4-yl)-N,6,15,21,30-pentakis-phenyl-6,15,21,30-tetraza-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaen-18-amine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cc4c5c(c3)N(c3ccccc3)c3c(ccc6c3c3ccccc3n6-c3ccccc3)B5c3ccc5c(c3N4c3ccccc3)c3ccccc3n5-c3ccccc3)cccc21
• InChI: InChI=1S/C75H52BN5/c1-75(2)58-38-21-18-35-55(58)69-59(75)39-24-42-64(69)77(49-25-8-3-9-26-49)54-47-67-72-68(48-54)81(53-33-16-7-17-34-53)74-61(44-46-66-71(74)57-37-20-23-41-63(57)79(66)51-29-12-5-13-30-51)76(72)60-43-45-65-70(73(60)80(67)52-31-14-6-15-32-52)56-36-19-22-40-62(56)78(65)50-27-10-4-11-28-50/h3-48H,1-2H3
• InChIKey: HZJPSBSVSAYTBG-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 19.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1034.09
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N,6,15,21,30-pentakis-phenyl-6,15,21,30-tetraza-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaen-18-amine?

The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N,6,15,21,30-pentakis-phenyl-6,15,21,30-tetraza-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaen-18-amine (CID 155625423) is N-(9,9-dimethylfluoren-4-yl)-N,6,15,21,30-pentakis-phenyl-6,15,21,30-tetraza-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaen-18-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N,6,15,21,30-pentakis-phenyl-6,15,21,30-tetraza-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaen-18-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N,6,15,21,30-pentakis-phenyl-6,15,21,30-tetraza-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaen-18-amine is CC1(C)c2ccccc2-c2c(N(c3ccccc3)c3cc4c5c(c3)N(c3ccccc3)c3c(ccc6c3c3ccccc3n6-c3ccccc3)B5c3ccc5c(c3N4c3ccccc3)c3ccccc3n5-c3ccccc3)cccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N,6,15,21,30-pentakis-phenyl-6,15,21,30-tetraza-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaen-18-amine?

The InChIKey is HZJPSBSVSAYTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52BN5/c1-75(2)58-38-21-18-35-55(58)69-59(75)39-24-42-64(69)77(49-25-8-3-9-26-49)54-47-67-72-68(48-54)81(53-33-16-7-17-34-53)74-61(44-46-66-71(74)57-37-20-23-41-63(57)79(66)51-29-12-5-13-30-51)76(72)60-43-45-65-70(73(60)80(67)52-31-14-6-15-32-52)56-36-19-22-40-62(56)78(65)50-27-10-4-11-28-50/h3-48H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N,6,15,21,30-pentakis-phenyl-6,15,21,30-tetraza-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaen-18-amine?

N-(9,9-dimethylfluoren-4-yl)-N,6,15,21,30-pentakis-phenyl-6,15,21,30-tetraza-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaen-18-amine has a molecular weight of 1034.09 g/mol, XLogP of 17.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-4-yl)-N,6,15,21,30-pentakis-phenyl-6,15,21,30-tetraza-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16,18,20(35),22(34),23(31),24,26,28,32-pentadecaen-18-amine is sourced from PubChem (CID 155625423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).