15-(2,6-dimethylphenyl)-25,25-dimethyl-2-(4-phenylphenyl)-2,18-diaza-25-sila-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5,7,9,11,13(31),14,16,19,21,23,26,28,30(32)-tetradecaene

C50H39BN2Si — CID 174016725

About 15-(2,6-dimethylphenyl)-25,25-dimethyl-2-(4-phenylphenyl)-2,18-diaza-25-sila-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5,7,9,11,13(31),14,16,19,21,23,26,28,30(32)-tetradecaene

15-(2,6-dimethylphenyl)-25,25-dimethyl-2-(4-phenylphenyl)-2,18-diaza-25-sila-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5,7,9,11,13(31),14,16,19,21,23,26,28,30(32)-tetradecaene (PubChem CID 174016725) has the molecular formula C50H39BN2Si and a molecular weight of 706.77 g/mol. Its IUPAC name is 15-(2,6-dimethylphenyl)-25,25-dimethyl-2-(4-phenylphenyl)-2,18-diaza-25-sila-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5,7,9,11,13(31),14,16,19,21,23,26,28,30(32)-tetradecaene.

Molecular Properties

• Compound Name: 15-(2,6-dimethylphenyl)-25,25-dimethyl-2-(4-phenylphenyl)-2,18-diaza-25-sila-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5,7,9,11,13(31),14,16,19,21,23,26,28,30(32)-tetradecaene
• PubChem CID: 174016725
• Molecular Formula: C50H39BN2Si
• Molecular Weight: 706.77 g/mol
• Exact Mass: 706.30
• IUPAC Name: 15-(2,6-dimethylphenyl)-25,25-dimethyl-2-(4-phenylphenyl)-2,18-diaza-25-sila-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5,7,9,11,13(31),14,16,19,21,23,26,28,30(32)-tetradecaene
• SMILES: Cc1cccc(C)c1-c1cc2c3c(c1)N1c4ccccc4[Si](C)(C)c4cccc(c41)B3N(c1ccc(-c3ccccc3)cc1)c1cc3ccccc3cc1-2
• InChI: InChI=1S/C50H39BN2Si/c1-32-14-12-15-33(2)48(32)38-29-41-40-28-36-18-8-9-19-37(36)30-44(40)53(39-26-24-35(25-27-39)34-16-6-5-7-17-34)51-42-20-13-23-47-50(42)52(45(31-38)49(41)51)43-21-10-11-22-46(43)54(47,3)4/h5-31H,1-4H3
• InChIKey: GDAYBQRJAMMBND-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.77
LogP ≤ 5	10.63
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 15-(2,6-dimethylphenyl)-25,25-dimethyl-2-(4-phenylphenyl)-2,18-diaza-25-sila-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5,7,9,11,13(31),14,16,19,21,23,26,28,30(32)-tetradecaene?

The IUPAC name of 15-(2,6-dimethylphenyl)-25,25-dimethyl-2-(4-phenylphenyl)-2,18-diaza-25-sila-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5,7,9,11,13(31),14,16,19,21,23,26,28,30(32)-tetradecaene (CID 174016725) is 15-(2,6-dimethylphenyl)-25,25-dimethyl-2-(4-phenylphenyl)-2,18-diaza-25-sila-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5,7,9,11,13(31),14,16,19,21,23,26,28,30(32)-tetradecaene.

What is the SMILES notation for 15-(2,6-dimethylphenyl)-25,25-dimethyl-2-(4-phenylphenyl)-2,18-diaza-25-sila-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5,7,9,11,13(31),14,16,19,21,23,26,28,30(32)-tetradecaene?

The canonical SMILES for 15-(2,6-dimethylphenyl)-25,25-dimethyl-2-(4-phenylphenyl)-2,18-diaza-25-sila-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5,7,9,11,13(31),14,16,19,21,23,26,28,30(32)-tetradecaene is Cc1cccc(C)c1-c1cc2c3c(c1)N1c4ccccc4[Si](C)(C)c4cccc(c41)B3N(c1ccc(-c3ccccc3)cc1)c1cc3ccccc3cc1-2.

What is the InChIKey of 15-(2,6-dimethylphenyl)-25,25-dimethyl-2-(4-phenylphenyl)-2,18-diaza-25-sila-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5,7,9,11,13(31),14,16,19,21,23,26,28,30(32)-tetradecaene?

The InChIKey is GDAYBQRJAMMBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39BN2Si/c1-32-14-12-15-33(2)48(32)38-29-41-40-28-36-18-8-9-19-37(36)30-44(40)53(39-26-24-35(25-27-39)34-16-6-5-7-17-34)51-42-20-13-23-47-50(42)52(45(31-38)49(41)51)43-21-10-11-22-46(43)54(47,3)4/h5-31H,1-4H3.

What are the key properties of 15-(2,6-dimethylphenyl)-25,25-dimethyl-2-(4-phenylphenyl)-2,18-diaza-25-sila-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5,7,9,11,13(31),14,16,19,21,23,26,28,30(32)-tetradecaene?

15-(2,6-dimethylphenyl)-25,25-dimethyl-2-(4-phenylphenyl)-2,18-diaza-25-sila-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5,7,9,11,13(31),14,16,19,21,23,26,28,30(32)-tetradecaene has a molecular weight of 706.77 g/mol, XLogP of 10.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(2,6-dimethylphenyl)-25,25-dimethyl-2-(4-phenylphenyl)-2,18-diaza-25-sila-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5,7,9,11,13(31),14,16,19,21,23,26,28,30(32)-tetradecaene is sourced from PubChem (CID 174016725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).