N-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-8,14-diphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C55H48BN3OSi — CID 148606028

About N-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-8,14-diphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

N-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-8,14-diphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 148606028) has the molecular formula C55H48BN3OSi and a molecular weight of 805.91 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-8,14-diphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-8,14-diphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• PubChem CID: 148606028
• Molecular Formula: C55H48BN3OSi
• Molecular Weight: 805.91 g/mol
• Exact Mass: 805.37
• IUPAC Name: N-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-8,14-diphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccc3c(c2)N(c2ccccc2)c2cc([Si](C)(C)C)cc4c2B3c2ccccc2N4c2ccccc2)c2ccc3oc4ccccc4c3c2)cc1
• InChI: InChI=1S/C55H48BN3OSi/c1-55(2,3)37-25-27-40(28-26-37)57(41-30-32-53-45(33-41)44-21-13-16-24-52(44)60-53)42-29-31-47-49(34-42)59(39-19-11-8-12-20-39)51-36-43(61(4,5)6)35-50-54(51)56(47)46-22-14-15-23-48(46)58(50)38-17-9-7-10-18-38/h7-36H,1-6H3
• InChIKey: NDKPVKVYJXBXKR-UHFFFAOYSA-N
• XLogP: 12.98
• TPSA: 22.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.91
LogP ≤ 5	12.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-8,14-diphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The IUPAC name of N-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-8,14-diphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 148606028) is N-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-8,14-diphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

What is the SMILES notation for N-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-8,14-diphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The canonical SMILES for N-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-8,14-diphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is CC(C)(C)c1ccc(N(c2ccc3c(c2)N(c2ccccc2)c2cc([Si](C)(C)C)cc4c2B3c2ccccc2N4c2ccccc2)c2ccc3oc4ccccc4c3c2)cc1.

What is the InChIKey of N-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-8,14-diphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The InChIKey is NDKPVKVYJXBXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48BN3OSi/c1-55(2,3)37-25-27-40(28-26-37)57(41-30-32-53-45(33-41)44-21-13-16-24-52(44)60-53)42-29-31-47-49(34-42)59(39-19-11-8-12-20-39)51-36-43(61(4,5)6)35-50-54(51)56(47)46-22-14-15-23-48(46)58(50)38-17-9-7-10-18-38/h7-36H,1-6H3.

What are the key properties of N-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-8,14-diphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

N-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-8,14-diphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 805.91 g/mol, XLogP of 12.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-N-dibenzofuran-2-yl-8,14-diphenyl-11-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 148606028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).