17,21-bis(2,6-dimethylphenyl)-9,14,24,29-tetraphenyl-1,5-diaza-17,21-diboranonacyclo[20.10.1.15,12.02,20.04,18.06,11.026,33.027,32.016,34]tetratriaconta-2(20),3,6(11),7,9,12(34),13,15,18,22,24,26(33),27(32),28,30-pentadecaene

C70H50B2N2 — CID 167378412

About 17,21-bis(2,6-dimethylphenyl)-9,14,24,29-tetraphenyl-1,5-diaza-17,21-diboranonacyclo[20.10.1.15,12.02,20.04,18.06,11.026,33.027,32.016,34]tetratriaconta-2(20),3,6(11),7,9,12(34),13,15,18,22,24,26(33),27(32),28,30-pentadecaene

17,21-bis(2,6-dimethylphenyl)-9,14,24,29-tetraphenyl-1,5-diaza-17,21-diboranonacyclo[20.10.1.15,12.02,20.04,18.06,11.026,33.027,32.016,34]tetratriaconta-2(20),3,6(11),7,9,12(34),13,15,18,22,24,26(33),27(32),28,30-pentadecaene (PubChem CID 167378412) has the molecular formula C70H50B2N2 and a molecular weight of 940.81 g/mol. Its IUPAC name is 17,21-bis(2,6-dimethylphenyl)-9,14,24,29-tetraphenyl-1,5-diaza-17,21-diboranonacyclo[20.10.1.15,12.02,20.04,18.06,11.026,33.027,32.016,34]tetratriaconta-2(20),3,6(11),7,9,12(34),13,15,18,22,24,26(33),27(32),28,30-pentadecaene.

Molecular Properties

• Compound Name: 17,21-bis(2,6-dimethylphenyl)-9,14,24,29-tetraphenyl-1,5-diaza-17,21-diboranonacyclo[20.10.1.15,12.02,20.04,18.06,11.026,33.027,32.016,34]tetratriaconta-2(20),3,6(11),7,9,12(34),13,15,18,22,24,26(33),27(32),28,30-pentadecaene
• PubChem CID: 167378412
• Molecular Formula: C70H50B2N2
• Molecular Weight: 940.81 g/mol
• Exact Mass: 940.42
• IUPAC Name: 17,21-bis(2,6-dimethylphenyl)-9,14,24,29-tetraphenyl-1,5-diaza-17,21-diboranonacyclo[20.10.1.15,12.02,20.04,18.06,11.026,33.027,32.016,34]tetratriaconta-2(20),3,6(11),7,9,12(34),13,15,18,22,24,26(33),27(32),28,30-pentadecaene
• SMILES: Cc1cccc(C)c1B1c2cc3c(cc2-n2c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)cc1c42)-n1c2ccc(-c4ccccc4)cc2c2cc(-c4ccccc4)cc(c21)B3c1c(C)cccc1C
• InChI: InChI=1S/C70H50B2N2/c1-43-19-17-20-44(2)67(43)71-59-41-60-66(42-65(59)73-63-33-31-51(47-23-9-5-10-24-47)35-55(63)57-37-53(39-61(71)69(57)73)49-27-13-7-14-28-49)74-64-34-32-52(48-25-11-6-12-26-48)36-56(64)58-38-54(50-29-15-8-16-30-50)40-62(70(58)74)72(60)68-45(3)21-18-22-46(68)4/h5-42H,1-4H3
• InChIKey: JZNSYDLNCSWKEG-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.81
LogP ≤ 5	13.44
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 17,21-bis(2,6-dimethylphenyl)-9,14,24,29-tetraphenyl-1,5-diaza-17,21-diboranonacyclo[20.10.1.15,12.02,20.04,18.06,11.026,33.027,32.016,34]tetratriaconta-2(20),3,6(11),7,9,12(34),13,15,18,22,24,26(33),27(32),28,30-pentadecaene?

The IUPAC name of 17,21-bis(2,6-dimethylphenyl)-9,14,24,29-tetraphenyl-1,5-diaza-17,21-diboranonacyclo[20.10.1.15,12.02,20.04,18.06,11.026,33.027,32.016,34]tetratriaconta-2(20),3,6(11),7,9,12(34),13,15,18,22,24,26(33),27(32),28,30-pentadecaene (CID 167378412) is 17,21-bis(2,6-dimethylphenyl)-9,14,24,29-tetraphenyl-1,5-diaza-17,21-diboranonacyclo[20.10.1.15,12.02,20.04,18.06,11.026,33.027,32.016,34]tetratriaconta-2(20),3,6(11),7,9,12(34),13,15,18,22,24,26(33),27(32),28,30-pentadecaene.

What is the SMILES notation for 17,21-bis(2,6-dimethylphenyl)-9,14,24,29-tetraphenyl-1,5-diaza-17,21-diboranonacyclo[20.10.1.15,12.02,20.04,18.06,11.026,33.027,32.016,34]tetratriaconta-2(20),3,6(11),7,9,12(34),13,15,18,22,24,26(33),27(32),28,30-pentadecaene?

The canonical SMILES for 17,21-bis(2,6-dimethylphenyl)-9,14,24,29-tetraphenyl-1,5-diaza-17,21-diboranonacyclo[20.10.1.15,12.02,20.04,18.06,11.026,33.027,32.016,34]tetratriaconta-2(20),3,6(11),7,9,12(34),13,15,18,22,24,26(33),27(32),28,30-pentadecaene is Cc1cccc(C)c1B1c2cc3c(cc2-n2c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)cc1c42)-n1c2ccc(-c4ccccc4)cc2c2cc(-c4ccccc4)cc(c21)B3c1c(C)cccc1C.

What is the InChIKey of 17,21-bis(2,6-dimethylphenyl)-9,14,24,29-tetraphenyl-1,5-diaza-17,21-diboranonacyclo[20.10.1.15,12.02,20.04,18.06,11.026,33.027,32.016,34]tetratriaconta-2(20),3,6(11),7,9,12(34),13,15,18,22,24,26(33),27(32),28,30-pentadecaene?

The InChIKey is JZNSYDLNCSWKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50B2N2/c1-43-19-17-20-44(2)67(43)71-59-41-60-66(42-65(59)73-63-33-31-51(47-23-9-5-10-24-47)35-55(63)57-37-53(39-61(71)69(57)73)49-27-13-7-14-28-49)74-64-34-32-52(48-25-11-6-12-26-48)36-56(64)58-38-54(50-29-15-8-16-30-50)40-62(70(58)74)72(60)68-45(3)21-18-22-46(68)4/h5-42H,1-4H3.

What are the key properties of 17,21-bis(2,6-dimethylphenyl)-9,14,24,29-tetraphenyl-1,5-diaza-17,21-diboranonacyclo[20.10.1.15,12.02,20.04,18.06,11.026,33.027,32.016,34]tetratriaconta-2(20),3,6(11),7,9,12(34),13,15,18,22,24,26(33),27(32),28,30-pentadecaene?

17,21-bis(2,6-dimethylphenyl)-9,14,24,29-tetraphenyl-1,5-diaza-17,21-diboranonacyclo[20.10.1.15,12.02,20.04,18.06,11.026,33.027,32.016,34]tetratriaconta-2(20),3,6(11),7,9,12(34),13,15,18,22,24,26(33),27(32),28,30-pentadecaene has a molecular weight of 940.81 g/mol, XLogP of 13.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 17,21-bis(2,6-dimethylphenyl)-9,14,24,29-tetraphenyl-1,5-diaza-17,21-diboranonacyclo[20.10.1.15,12.02,20.04,18.06,11.026,33.027,32.016,34]tetratriaconta-2(20),3,6(11),7,9,12(34),13,15,18,22,24,26(33),27(32),28,30-pentadecaene is sourced from PubChem (CID 167378412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).