23,24-diphenyl-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]

C73H51BN2 — CID 177289533

About 23,24-diphenyl-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-diphenyl-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 177289533) has the molecular formula C73H51BN2 and a molecular weight of 967.04 g/mol. Its IUPAC name is 23,24-diphenyl-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-diphenyl-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: 177289533
• Molecular Formula: C73H51BN2
• Molecular Weight: 967.04 g/mol
• Exact Mass: 966.41
• IUPAC Name: 23,24-diphenyl-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: CC(C)(c1ccccc1)c1cc2c3c(c1)c1cc(C(C)(C)c4ccccc4)cc4c1n3-c1c(ccc3c1B2c1cc2ccccc2c2c(-c5ccccc5)c(-c5ccccc5)n-3c12)C41c2ccccc2-c2ccccc21
• InChI: InChI=1S/C73H51BN2/c1-71(2,47-28-13-7-14-29-47)49-40-54-55-41-50(72(3,4)48-30-15-8-16-31-48)43-61-68(55)76-67(54)59(42-49)73(56-35-21-19-33-52(56)53-34-20-22-36-57(53)73)58-37-38-62-65(69(58)76)74(61)60-39-46-27-17-18-32-51(46)64-63(44-23-9-5-10-24-44)66(75(62)70(60)64)45-25-11-6-12-26-45/h5-43H,1-4H3
• InChIKey: NWXSVKFLHAJYAE-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.04
LogP ≤ 5	15.69
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-diphenyl-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-diphenyl-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 177289533) is 23,24-diphenyl-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-diphenyl-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-diphenyl-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 CC(C)(c1ccccc1)c1cc2c3c(c1)c1cc(C(C)(C)c4ccccc4)cc4c1n3-c1c(ccc3c1B2c1cc2ccccc2c2c(-c5ccccc5)c(-c5ccccc5)n-3c12)C41c2ccccc2-c2ccccc21.

What is the InChIKey of 23,24-diphenyl-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 NWXSVKFLHAJYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H51BN2/c1-71(2,47-28-13-7-14-29-47)49-40-54-55-41-50(72(3,4)48-30-15-8-16-31-48)43-61-68(55)76-67(54)59(42-49)73(56-35-21-19-33-52(56)53-34-20-22-36-57(53)73)58-37-38-62-65(69(58)76)74(61)60-39-46-27-17-18-32-51(46)64-63(44-23-9-5-10-24-44)66(75(62)70(60)64)45-25-11-6-12-26-45/h5-43H,1-4H3.

What are the key properties of 23,24-diphenyl-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-diphenyl-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 967.04 g/mol, XLogP of 15.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 23,24-diphenyl-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 177289533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).