2',7'-dimethyl-23,24-diphenyl-9,14-di(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]

C63H47BN2 — CID 177289523

About 2',7'-dimethyl-23,24-diphenyl-9,14-di(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]

2',7'-dimethyl-23,24-diphenyl-9,14-di(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene] (PubChem CID 177289523) has the molecular formula C63H47BN2 and a molecular weight of 842.90 g/mol. Its IUPAC name is 2',7'-dimethyl-23,24-diphenyl-9,14-di(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene].

Molecular Properties

• Compound Name: 2',7'-dimethyl-23,24-diphenyl-9,14-di(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]
• PubChem CID: 177289523
• Molecular Formula: C63H47BN2
• Molecular Weight: 842.90 g/mol
• Exact Mass: 842.38
• IUPAC Name: 2',7'-dimethyl-23,24-diphenyl-9,14-di(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]
• SMILES: Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccc3c4c2-n2c5c(cc(C(C)C)cc5c5cc(C(C)C)cc1c52)B4c1c2ccccc2cc2c(-c4ccccc4)c(-c4ccccc4)n-3c12
• InChI: InChI=1S/C63H47BN2/c1-34(2)41-30-46-47-31-42(35(3)4)33-53-60(47)66-59(46)52(32-41)63(50-27-36(5)21-23-44(50)45-24-22-37(6)28-51(45)63)49-25-26-54-57(62(49)66)64(53)56-43-20-14-13-19-40(43)29-48-55(38-15-9-7-10-16-38)58(65(54)61(48)56)39-17-11-8-12-18-39/h7-35H,1-6H3
• InChIKey: YGXLZAFORKUSJR-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.90
LogP ≤ 5	13.90
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 2',7'-dimethyl-23,24-diphenyl-9,14-di(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]?

The IUPAC name of 2',7'-dimethyl-23,24-diphenyl-9,14-di(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene] (CID 177289523) is 2',7'-dimethyl-23,24-diphenyl-9,14-di(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene].

What is the SMILES notation for 2',7'-dimethyl-23,24-diphenyl-9,14-di(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]?

The canonical SMILES for 2',7'-dimethyl-23,24-diphenyl-9,14-di(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene] is Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccc3c4c2-n2c5c(cc(C(C)C)cc5c5cc(C(C)C)cc1c52)B4c1c2ccccc2cc2c(-c4ccccc4)c(-c4ccccc4)n-3c12.

What is the InChIKey of 2',7'-dimethyl-23,24-diphenyl-9,14-di(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]?

The InChIKey is YGXLZAFORKUSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H47BN2/c1-34(2)41-30-46-47-31-42(35(3)4)33-53-60(47)66-59(46)52(32-41)63(50-27-36(5)21-23-44(50)45-24-22-37(6)28-51(45)63)49-25-26-54-57(62(49)66)64(53)56-43-20-14-13-19-40(43)29-48-55(38-15-9-7-10-16-38)58(65(54)61(48)56)39-17-11-8-12-18-39/h7-35H,1-6H3.

What are the key properties of 2',7'-dimethyl-23,24-diphenyl-9,14-di(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]?

2',7'-dimethyl-23,24-diphenyl-9,14-di(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene] has a molecular weight of 842.90 g/mol, XLogP of 13.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2',7'-dimethyl-23,24-diphenyl-9,14-di(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.025,33.027,32.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene] is sourced from PubChem (CID 177289523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).