9,14-ditert-butyl-23,24-bis(4-methylphenyl)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]

C65H51BN2 — CID 177289748

About 9,14-ditert-butyl-23,24-bis(4-methylphenyl)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]

9,14-ditert-butyl-23,24-bis(4-methylphenyl)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 177289748) has the molecular formula C65H51BN2 and a molecular weight of 870.95 g/mol. Its IUPAC name is 9,14-ditert-butyl-23,24-bis(4-methylphenyl)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: 9,14-ditert-butyl-23,24-bis(4-methylphenyl)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: 177289748
• Molecular Formula: C65H51BN2
• Molecular Weight: 870.95 g/mol
• Exact Mass: 870.41
• IUPAC Name: 9,14-ditert-butyl-23,24-bis(4-methylphenyl)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)C)cc5c2cc(C(C)(C)C)cc(c24)C32c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C65H51BN2/c1-36-21-25-38(26-22-36)55-56-43-16-10-9-15-40(43)31-52-62(56)67(58(55)39-27-23-37(2)24-28-39)54-30-29-50-61-57(54)66(52)53-35-42(64(6,7)8)33-47-46-32-41(63(3,4)5)34-51(59(46)68(61)60(47)53)65(50)48-19-13-11-17-44(48)45-18-12-14-20-49(45)65/h9-35H,1-8H3
• InChIKey: LBGSHTSGNVVSGX-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 9,14-ditert-butyl-23,24-bis(4-methylphenyl)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 9,14-ditert-butyl-23,24-bis(4-methylphenyl)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 177289748) is 9,14-ditert-butyl-23,24-bis(4-methylphenyl)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 9,14-ditert-butyl-23,24-bis(4-methylphenyl)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 9,14-ditert-butyl-23,24-bis(4-methylphenyl)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)C)cc5c2cc(C(C)(C)C)cc(c24)C32c3ccccc3-c3ccccc32)cc1.

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

What are the key properties of 9,14-ditert-butyl-23,24-bis(4-methylphenyl)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]?

9,14-ditert-butyl-23,24-bis(4-methylphenyl)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 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 9,14-ditert-butyl-23,24-bis(4-methylphenyl)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 177289748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).