23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene]

C75H55BN2 — CID 177289470

About 23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene]

23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene] (PubChem CID 177289470) has the molecular formula C75H55BN2 and a molecular weight of 995.09 g/mol. Its IUPAC name is 23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene].

Molecular Properties

• Compound Name: 23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene]
• PubChem CID: 177289470
• Molecular Formula: C75H55BN2
• Molecular Weight: 995.09 g/mol
• Exact Mass: 994.45
• IUPAC Name: 23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene]
• SMILES: Cc1ccc(-c2c(-c3ccc(C)cc3)n3c4c(cc5ccccc5c24)B2c4c-3ccc3c4-n4c5c2cc(C(C)(C)c2ccccc2)cc5c2cc(C(C)(C)c5ccccc5)cc(c24)C32c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C75H55BN2/c1-44-29-33-46(34-30-44)65-66-53-24-14-13-19-48(53)39-62-72(66)77(68(65)47-35-31-45(2)32-36-47)64-38-37-60-71-67(64)76(62)63-43-52(74(5,6)50-22-11-8-12-23-50)41-57-56-40-51(73(3,4)49-20-9-7-10-21-49)42-61(69(56)78(71)70(57)63)75(60)58-27-17-15-25-54(58)55-26-16-18-28-59(55)75/h7-43H,1-6H3
• InChIKey: JNRHXKWLFIGLIA-UHFFFAOYSA-N
• XLogP: 16.30
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	995.09
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene]?

The IUPAC name of 23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene] (CID 177289470) is 23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene].

What is the SMILES notation for 23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene]?

The canonical SMILES for 23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene] is Cc1ccc(-c2c(-c3ccc(C)cc3)n3c4c(cc5ccccc5c24)B2c4c-3ccc3c4-n4c5c2cc(C(C)(C)c2ccccc2)cc5c2cc(C(C)(C)c5ccccc5)cc(c24)C32c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene]?

The InChIKey is JNRHXKWLFIGLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H55BN2/c1-44-29-33-46(34-30-44)65-66-53-24-14-13-19-48(53)39-62-72(66)77(68(65)47-35-31-45(2)32-36-47)64-38-37-60-71-67(64)76(62)63-43-52(74(5,6)50-22-11-8-12-23-50)41-57-56-40-51(73(3,4)49-20-9-7-10-21-49)42-61(69(56)78(71)70(57)63)75(60)58-27-17-15-25-54(58)55-26-16-18-28-59(55)75/h7-43H,1-6H3.

What are the key properties of 23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene]?

23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene] has a molecular weight of 995.09 g/mol, XLogP of 16.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 23,24-bis(4-methylphenyl)-9,14-bis(2-phenylpropan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.026,31.016,34]tetratriaconta-1(32),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25(33),26,28,30-pentadecaene-17,9'-fluorene] is sourced from PubChem (CID 177289470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).