23,24-bis(4-tert-butylphenyl)-9,14-dimethylspiro[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]

C65H51BN2 — CID 177289602

About 23,24-bis(4-tert-butylphenyl)-9,14-dimethylspiro[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-tert-butylphenyl)-9,14-dimethylspiro[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 177289602) has the molecular formula C65H51BN2 and a molecular weight of 870.95 g/mol. Its IUPAC name is 23,24-bis(4-tert-butylphenyl)-9,14-dimethylspiro[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-tert-butylphenyl)-9,14-dimethylspiro[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: 177289602
• Molecular Formula: C65H51BN2
• Molecular Weight: 870.95 g/mol
• Exact Mass: 870.41
• IUPAC Name: 23,24-bis(4-tert-butylphenyl)-9,14-dimethylspiro[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: Cc1cc2c3c(c1)c1cc(C)cc4c1n3-c1c(ccc3c1B2c1cc2ccccc2c2c(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)n-3c12)C41c2ccccc2-c2ccccc21
• InChI: InChI=1S/C65H51BN2/c1-36-31-46-47-32-37(2)34-52-60(47)68-59(46)51(33-36)65(48-19-13-11-17-44(48)45-18-12-14-20-49(45)65)50-29-30-54-57(61(50)68)66(52)53-35-40-15-9-10-16-43(40)56-55(38-21-25-41(26-22-38)63(3,4)5)58(67(54)62(53)56)39-23-27-42(28-24-39)64(6,7)8/h9-35H,1-8H3
• InChIKey: QPMZQVCYAKYDEM-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.95
LogP ≤ 5	14.25
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-tert-butylphenyl)-9,14-dimethylspiro[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-tert-butylphenyl)-9,14-dimethylspiro[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 177289602) is 23,24-bis(4-tert-butylphenyl)-9,14-dimethylspiro[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-tert-butylphenyl)-9,14-dimethylspiro[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-tert-butylphenyl)-9,14-dimethylspiro[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 Cc1cc2c3c(c1)c1cc(C)cc4c1n3-c1c(ccc3c1B2c1cc2ccccc2c2c(-c5ccc(C(C)(C)C)cc5)c(-c5ccc(C(C)(C)C)cc5)n-3c12)C41c2ccccc2-c2ccccc21.

What is the InChIKey of 23,24-bis(4-tert-butylphenyl)-9,14-dimethylspiro[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 QPMZQVCYAKYDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H51BN2/c1-36-31-46-47-32-37(2)34-52-60(47)68-59(46)51(33-36)65(48-19-13-11-17-44(48)45-18-12-14-20-49(45)65)50-29-30-54-57(61(50)68)66(52)53-35-40-15-9-10-16-43(40)56-55(38-21-25-41(26-22-38)63(3,4)5)58(67(54)62(53)56)39-23-27-42(28-24-39)64(6,7)8/h9-35H,1-8H3.

What are the key properties of 23,24-bis(4-tert-butylphenyl)-9,14-dimethylspiro[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-tert-butylphenyl)-9,14-dimethylspiro[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 870.95 g/mol, XLogP of 14.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 23,24-bis(4-tert-butylphenyl)-9,14-dimethylspiro[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 177289602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).