17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.023,31.025,30.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23(31),25,27,29-pentadecaene

C58H47BN2O — CID 174018118

About 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.023,31.025,30.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23(31),25,27,29-pentadecaene

17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.023,31.025,30.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23(31),25,27,29-pentadecaene (PubChem CID 174018118) has the molecular formula C58H47BN2O and a molecular weight of 798.84 g/mol. Its IUPAC name is 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.023,31.025,30.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23(31),25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.023,31.025,30.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23(31),25,27,29-pentadecaene
• PubChem CID: 174018118
• Molecular Formula: C58H47BN2O
• Molecular Weight: 798.84 g/mol
• Exact Mass: 798.38
• IUPAC Name: 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.023,31.025,30.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23(31),25,27,29-pentadecaene
• SMILES: Cc1cc2c3c(c1)N1c4ccccc4C(c4ccccc4)(c4ccccc4)c4cccc(c41)B3N(c1ccc3c(c1)C(C)(C)CCC3(C)C)c1c-2ccc2oc3ccccc3c12
• InChI: InChI=1S/C58H47BN2O/c1-36-33-42-40-28-30-51-52(41-21-12-15-26-50(41)62-51)54(40)61(39-27-29-43-46(35-39)57(4,5)32-31-56(43,2)3)59-47-24-16-23-45-55(47)60(49(34-36)53(42)59)48-25-14-13-22-44(48)58(45,37-17-8-6-9-18-37)38-19-10-7-11-20-38/h6-30,33-35H,31-32H2,1-5H3
• InChIKey: DAOGJSWDOOHPSF-UHFFFAOYSA-N
• XLogP: 13.65
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.84
LogP ≤ 5	13.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.023,31.025,30.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23(31),25,27,29-pentadecaene?

The IUPAC name of 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.023,31.025,30.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23(31),25,27,29-pentadecaene (CID 174018118) is 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.023,31.025,30.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23(31),25,27,29-pentadecaene.

What is the SMILES notation for 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.023,31.025,30.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23(31),25,27,29-pentadecaene?

The canonical SMILES for 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.023,31.025,30.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23(31),25,27,29-pentadecaene is Cc1cc2c3c(c1)N1c4ccccc4C(c4ccccc4)(c4ccccc4)c4cccc(c41)B3N(c1ccc3c(c1)C(C)(C)CCC3(C)C)c1c-2ccc2oc3ccccc3c12.

What is the InChIKey of 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.023,31.025,30.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23(31),25,27,29-pentadecaene?

The InChIKey is DAOGJSWDOOHPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47BN2O/c1-36-33-42-40-28-30-51-52(41-21-12-15-26-50(41)62-51)54(40)61(39-27-29-43-46(35-39)57(4,5)32-31-56(43,2)3)59-47-24-16-23-45-55(47)60(49(34-36)53(42)59)48-25-14-13-22-44(48)58(45,37-17-8-6-9-18-37)38-19-10-7-11-20-38/h6-30,33-35H,31-32H2,1-5H3.

What are the key properties of 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.023,31.025,30.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23(31),25,27,29-pentadecaene?

17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.023,31.025,30.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23(31),25,27,29-pentadecaene has a molecular weight of 798.84 g/mol, XLogP of 13.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 17-methyl-7,7-diphenyl-33-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-24-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.023,31.025,30.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23(31),25,27,29-pentadecaene is sourced from PubChem (CID 174018118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).