9,14-dicyclopentyl-23,24-diphenylspiro[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]

C65H47BN2 — CID 177289517

About 9,14-dicyclopentyl-23,24-diphenylspiro[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-dicyclopentyl-23,24-diphenylspiro[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 177289517) has the molecular formula C65H47BN2 and a molecular weight of 866.92 g/mol. Its IUPAC name is 9,14-dicyclopentyl-23,24-diphenylspiro[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-dicyclopentyl-23,24-diphenylspiro[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: 177289517
• Molecular Formula: C65H47BN2
• Molecular Weight: 866.92 g/mol
• Exact Mass: 866.38
• IUPAC Name: 9,14-dicyclopentyl-23,24-diphenylspiro[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: c1ccc(-c2c(-c3ccccc3)n3c4c(cc5ccccc5c24)B2c4c-3ccc3c4-n4c5c2cc(C2CCCC2)cc5c2cc(C5CCCC5)cc(c24)C32c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C65H47BN2/c1-3-21-40(22-4-1)57-58-45-26-12-11-25-42(45)36-55-64(58)67(60(57)41-23-5-2-6-24-41)56-32-31-52-63-59(56)66(55)54-37-44(39-19-9-10-20-39)34-49-48-33-43(38-17-7-8-18-38)35-53(61(48)68(63)62(49)54)65(52)50-29-15-13-27-46(50)47-28-14-16-30-51(47)65/h1-6,11-16,21-39H,7-10,17-20H2
• InChIKey: FHOWVAHOGUMPAM-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	866.92
LogP ≤ 5	14.35
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-dicyclopentyl-23,24-diphenylspiro[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-dicyclopentyl-23,24-diphenylspiro[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 177289517) is 9,14-dicyclopentyl-23,24-diphenylspiro[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-dicyclopentyl-23,24-diphenylspiro[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-dicyclopentyl-23,24-diphenylspiro[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 c1ccc(-c2c(-c3ccccc3)n3c4c(cc5ccccc5c24)B2c4c-3ccc3c4-n4c5c2cc(C2CCCC2)cc5c2cc(C5CCCC5)cc(c24)C32c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 9,14-dicyclopentyl-23,24-diphenylspiro[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 FHOWVAHOGUMPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47BN2/c1-3-21-40(22-4-1)57-58-45-26-12-11-25-42(45)36-55-64(58)67(60(57)41-23-5-2-6-24-41)56-32-31-52-63-59(56)66(55)54-37-44(39-19-9-10-20-39)34-49-48-33-43(38-17-7-8-18-38)35-53(61(48)68(63)62(49)54)65(52)50-29-15-13-27-46(50)47-28-14-16-30-51(47)65/h1-6,11-16,21-39H,7-10,17-20H2.

What are the key properties of 9,14-dicyclopentyl-23,24-diphenylspiro[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-dicyclopentyl-23,24-diphenylspiro[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 866.92 g/mol, XLogP of 14.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,14-dicyclopentyl-23,24-diphenylspiro[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 177289517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).