23,24-bis[3-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-9,14-bis(2-methylbutan-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]

C109H119BN2 — CID 177289496

About 23,24-bis[3-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-9,14-bis(2-methylbutan-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]

23,24-bis[3-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-9,14-bis(2-methylbutan-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 177289496) has the molecular formula C109H119BN2 and a molecular weight of 1467.98 g/mol. Its IUPAC name is 23,24-bis[3-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-9,14-bis(2-methylbutan-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: 23,24-bis[3-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-9,14-bis(2-methylbutan-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: 177289496
• Molecular Formula: C109H119BN2
• Molecular Weight: 1467.98 g/mol
• Exact Mass: 1466.95
• IUPAC Name: 23,24-bis[3-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-9,14-bis(2-methylbutan-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: CCC(C)(C)c1cc2c3c(c1)c1cc(C(C)(C)CC)cc4c1n3-c1c(ccc3c1B2c1c2ccccc2cc2c(-c5cc6c(cc5-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)C(C)(C)CCC6(C)C)c(-c5cc6c(cc5-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)C(C)(C)CCC6(C)C)n-3c12)C41c2ccccc2-c2ccccc21
• InChI: InChI=1S/C109H119BN2/c1-27-103(15,16)69-54-77-78-55-70(104(17,18)28-2)57-89-95(78)112-94(77)88(56-69)109(81-39-33-31-37-72(81)73-38-32-34-40-82(73)109)83-41-42-90-93(98(83)112)110(89)92-71-36-30-29-35-62(71)51-80-91(76-60-86-84(105(19,20)43-45-107(86,23)24)58-74(76)63-47-65(99(3,4)5)52-66(48-63)100(6,7)8)96(111(90)97(80)92)79-61-87-85(106(21,22)44-46-108(87,25)26)59-75(79)64-49-67(101(9,10)11)53-68(50-64)102(12,13)14/h29-42,47-61H,27-28,43-46H2,1-26H3
• InChIKey: GBXPEJGFGIVRCV-UHFFFAOYSA-N
• XLogP: 27.63
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1467.98
LogP ≤ 5	27.63
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[3-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-9,14-bis(2-methylbutan-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 23,24-bis[3-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-9,14-bis(2-methylbutan-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 177289496) is 23,24-bis[3-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-9,14-bis(2-methylbutan-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 23,24-bis[3-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-9,14-bis(2-methylbutan-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 23,24-bis[3-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-9,14-bis(2-methylbutan-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 CCC(C)(C)c1cc2c3c(c1)c1cc(C(C)(C)CC)cc4c1n3-c1c(ccc3c1B2c1c2ccccc2cc2c(-c5cc6c(cc5-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)C(C)(C)CCC6(C)C)c(-c5cc6c(cc5-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)C(C)(C)CCC6(C)C)n-3c12)C41c2ccccc2-c2ccccc21.

What is the InChIKey of 23,24-bis[3-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-9,14-bis(2-methylbutan-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 GBXPEJGFGIVRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H119BN2/c1-27-103(15,16)69-54-77-78-55-70(104(17,18)28-2)57-89-95(78)112-94(77)88(56-69)109(81-39-33-31-37-72(81)73-38-32-34-40-82(73)109)83-41-42-90-93(98(83)112)110(89)92-71-36-30-29-35-62(71)51-80-91(76-60-86-84(105(19,20)43-45-107(86,23)24)58-74(76)63-47-65(99(3,4)5)52-66(48-63)100(6,7)8)96(111(90)97(80)92)79-61-87-85(106(21,22)44-46-108(87,25)26)59-75(79)64-49-67(101(9,10)11)53-68(50-64)102(12,13)14/h29-42,47-61H,27-28,43-46H2,1-26H3.

What are the key properties of 23,24-bis[3-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-9,14-bis(2-methylbutan-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]?

23,24-bis[3-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-9,14-bis(2-methylbutan-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 1467.98 g/mol, XLogP of 27.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 23,24-bis[3-(3,5-ditert-butylphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-9,14-bis(2-methylbutan-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 177289496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).