23,24-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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),6,8,10,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]

C71H59BN2 — CID 177289572

About 23,24-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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),6,8,10,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]

23,24-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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),6,8,10,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene] (PubChem CID 177289572) has the molecular formula C71H59BN2 and a molecular weight of 951.08 g/mol. Its IUPAC name is 23,24-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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),6,8,10,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene].

Molecular Properties

• Compound Name: 23,24-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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),6,8,10,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]
• PubChem CID: 177289572
• Molecular Formula: C71H59BN2
• Molecular Weight: 951.08 g/mol
• Exact Mass: 950.48
• IUPAC Name: 23,24-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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),6,8,10,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3c(-c4ccc5c(c4)C(C)(C)CCC5(C)C)n4c5c(c6ccccc6cc35)B3c5c-4ccc4c5-n5c6c3cccc6c3cccc(c35)C43c4ccccc4-c4ccccc43)ccc21
• InChI: InChI=1S/C71H59BN2/c1-67(2)33-35-69(5,6)55-38-41(27-29-51(55)67)59-48-37-40-17-9-10-18-43(40)60-65(48)73(62(59)42-28-30-52-56(39-42)70(7,8)36-34-68(52,3)4)58-32-31-54-66-61(58)72(60)57-26-16-22-47-46-21-15-25-53(63(46)74(66)64(47)57)71(54)49-23-13-11-19-44(49)45-20-12-14-24-50(45)71/h9-32,37-39H,33-36H2,1-8H3
• InChIKey: GCQCLEWRRQQOHR-UHFFFAOYSA-N
• XLogP: 15.73
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.08
LogP ≤ 5	15.73
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(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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),6,8,10,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]?

The IUPAC name of 23,24-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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),6,8,10,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene] (CID 177289572) is 23,24-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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),6,8,10,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene].

What is the SMILES notation for 23,24-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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),6,8,10,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]?

The canonical SMILES for 23,24-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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),6,8,10,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene] is CC1(C)CCC(C)(C)c2cc(-c3c(-c4ccc5c(c4)C(C)(C)CCC5(C)C)n4c5c(c6ccccc6cc35)B3c5c-4ccc4c5-n5c6c3cccc6c3cccc(c35)C43c4ccccc4-c4ccccc43)ccc21.

What is the InChIKey of 23,24-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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),6,8,10,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]?

The InChIKey is GCQCLEWRRQQOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H59BN2/c1-67(2)33-35-69(5,6)55-38-41(27-29-51(55)67)59-48-37-40-17-9-10-18-43(40)60-65(48)73(62(59)42-28-30-52-56(39-42)70(7,8)36-34-68(52,3)4)58-32-31-54-66-61(58)72(60)57-26-16-22-47-46-21-15-25-53(63(46)74(66)64(47)57)71(54)49-23-13-11-19-44(49)45-20-12-14-24-50(45)71/h9-32,37-39H,33-36H2,1-8H3.

What are the key properties of 23,24-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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),6,8,10,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]?

23,24-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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),6,8,10,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene] has a molecular weight of 951.08 g/mol, XLogP of 15.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 23,24-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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),6,8,10,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene] is sourced from PubChem (CID 177289572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).