N,6,6,15,21,30,30-heptakis-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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;6,6,30,30-tetramethyl-N,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-6,30-dithia-15,21-diaza-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

C251H164B3N9S2 — CID 158549706

About N,6,6,15,21,30,30-heptakis-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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;6,6,30,30-tetramethyl-N,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-6,30-dithia-15,21-diaza-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,6,6,15,21,30,30-heptakis-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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;6,6,30,30-tetramethyl-N,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-6,30-dithia-15,21-diaza-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 158549706) has the molecular formula C251H164B3N9S2 and a molecular weight of 3402.71 g/mol. Its IUPAC name is N,6,6,15,21,30,30-heptakis-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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;6,6,30,30-tetramethyl-N,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-6,30-dithia-15,21-diaza-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,6,6,15,21,30,30-heptakis-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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;6,6,30,30-tetramethyl-N,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-6,30-dithia-15,21-diaza-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: 158549706
• Molecular Formula: C251H164B3N9S2
• Molecular Weight: 3402.71 g/mol
• Exact Mass: 3400.28
• IUPAC Name: N,6,6,15,21,30,30-heptakis-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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;6,6,30,30-tetramethyl-N,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-6,30-dithia-15,21-diaza-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-c2c1ccc1c2N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc3c2B1c1ccc2c(c1N3c1ccccc1)-c1ccccc1C2(C)C.c1ccc(N(c2cc3c4c(c2)N(c2ccccc2)c2c(ccc5c2-c2ccccc2C5(c2ccccc2)c2ccccc2)B4c2ccc4c(c2N3c2ccccc2)-c2ccccc2C4(c2ccccc2)c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2cc3c4c(c2)N(c2ccccc2)c2c(ccc5sc6ccccc6c25)B4c2ccc4sc5ccccc5c4c2N3c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C99H64BN3.C79H56BN3.C73H44BN3S2/c1-8-33-65(34-9-1)97(66-35-10-2-11-36-66)80-54-29-25-50-76(80)92-84(97)59-61-86-95(92)102(70-43-18-6-19-44-70)89-63-72(101(69-41-16-5-17-42-69)88-58-32-57-83-91(88)75-49-24-31-56-82(75)99(83)78-52-27-22-47-73(78)74-48-23-28-53-79(74)99)64-90-94(89)100(86)87-62-60-85-93(96(87)103(90)71-45-20-7-21-46-71)77-51-26-30-55-81(77)98(85,67-37-12-3-13-38-67)68-39-14-4-15-40-68;1-77(2)58-36-19-16-33-55(58)72-63(77)43-45-66-75(72)82(50-27-10-6-11-28-50)69-47-52(48-70-74(69)80(66)67-46-44-64-73(56-34-17-20-37-59(56)78(64,3)4)76(67)83(70)51-29-12-7-13-30-51)81(49-25-8-5-9-26-49)68-42-24-41-65-71(68)57-35-18-23-40-62(57)79(65)60-38-21-14-31-53(60)54-32-15-22-39-61(54)79;1-4-21-45(22-5-1)75(60-36-20-35-57-67(60)51-29-12-17-34-56(51)73(57)54-32-15-10-27-49(54)50-28-11-16-33-55(50)73)48-43-61-70-62(44-48)77(47-25-8-3-9-26-47)72-59(40-42-66-69(72)53-31-14-19-38-64(53)79-66)74(70)58-39-41-65-68(52-30-13-18-37-63(52)78-65)71(58)76(61)46-23-6-2-7-24-46/h1-64H;5-48H,1-4H3;1-44H
• InChIKey: HPOHKHSFHGKASY-UHFFFAOYSA-N
• XLogP: 58.82
• TPSA: 29.16 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 19
• Heavy Atoms: 265
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3402.71
LogP ≤ 5	58.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,6,6,15,21,30,30-heptakis-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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;6,6,30,30-tetramethyl-N,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-6,30-dithia-15,21-diaza-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,6,6,15,21,30,30-heptakis-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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;6,6,30,30-tetramethyl-N,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-6,30-dithia-15,21-diaza-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 158549706) is N,6,6,15,21,30,30-heptakis-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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;6,6,30,30-tetramethyl-N,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-6,30-dithia-15,21-diaza-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,6,6,15,21,30,30-heptakis-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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;6,6,30,30-tetramethyl-N,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-6,30-dithia-15,21-diaza-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,6,6,15,21,30,30-heptakis-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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;6,6,30,30-tetramethyl-N,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-6,30-dithia-15,21-diaza-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-c2c1ccc1c2N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc3c2B1c1ccc2c(c1N3c1ccccc1)-c1ccccc1C2(C)C.c1ccc(N(c2cc3c4c(c2)N(c2ccccc2)c2c(ccc5c2-c2ccccc2C5(c2ccccc2)c2ccccc2)B4c2ccc4c(c2N3c2ccccc2)-c2ccccc2C4(c2ccccc2)c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2cc3c4c(c2)N(c2ccccc2)c2c(ccc5sc6ccccc6c25)B4c2ccc4sc5ccccc5c4c2N3c2ccccc2)c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of N,6,6,15,21,30,30-heptakis-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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;6,6,30,30-tetramethyl-N,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-6,30-dithia-15,21-diaza-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 HPOHKHSFHGKASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H64BN3.C79H56BN3.C73H44BN3S2/c1-8-33-65(34-9-1)97(66-35-10-2-11-36-66)80-54-29-25-50-76(80)92-84(97)59-61-86-95(92)102(70-43-18-6-19-44-70)89-63-72(101(69-41-16-5-17-42-69)88-58-32-57-83-91(88)75-49-24-31-56-82(75)99(83)78-52-27-22-47-73(78)74-48-23-28-53-79(74)99)64-90-94(89)100(86)87-62-60-85-93(96(87)103(90)71-45-20-7-21-46-71)77-51-26-30-55-81(77)98(85,67-37-12-3-13-38-67)68-39-14-4-15-40-68;1-77(2)58-36-19-16-33-55(58)72-63(77)43-45-66-75(72)82(50-27-10-6-11-28-50)69-47-52(48-70-74(69)80(66)67-46-44-64-73(56-34-17-20-37-59(56)78(64,3)4)76(67)83(70)51-29-12-7-13-30-51)81(49-25-8-5-9-26-49)68-42-24-41-65-71(68)57-35-18-23-40-62(57)79(65)60-38-21-14-31-53(60)54-32-15-22-39-61(54)79;1-4-21-45(22-5-1)75(60-36-20-35-57-67(60)51-29-12-17-34-56(51)73(57)54-32-15-10-27-49(54)50-28-11-16-33-55(50)73)48-43-61-70-62(44-48)77(47-25-8-3-9-26-47)72-59(40-42-66-69(72)53-31-14-19-38-64(53)79-66)74(70)58-39-41-65-68(52-30-13-18-37-63(52)78-65)71(58)76(61)46-23-6-2-7-24-46/h1-64H;5-48H,1-4H3;1-44H.

What are the key properties of N,6,6,15,21,30,30-heptakis-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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;6,6,30,30-tetramethyl-N,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-6,30-dithia-15,21-diaza-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,6,6,15,21,30,30-heptakis-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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;6,6,30,30-tetramethyl-N,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-6,30-dithia-15,21-diaza-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 3402.71 g/mol, XLogP of 58.82, 19 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N,6,6,15,21,30,30-heptakis-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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;6,6,30,30-tetramethyl-N,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-15,21-diaza-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,15,21-triphenyl-N-(9,9'-spirobi[fluorene]-4-yl)-6,30-dithia-15,21-diaza-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 158549706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).