N-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine

C49H43NOSi — CID 140758777

About N-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine

N-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine (PubChem CID 140758777) has the molecular formula C49H43NOSi and a molecular weight of 689.98 g/mol. Its IUPAC name is N-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine
• PubChem CID: 140758777
• Molecular Formula: C49H43NOSi
• Molecular Weight: 689.98 g/mol
• Exact Mass: 689.31
• IUPAC Name: N-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine
• SMILES: CC1(C)c2cc(N(c3ccc([Si](C)(C)C)cc3)c3cccc4c3oc3ccccc34)ccc2-c2cc3c(cc21)-c1c(ccc2ccccc12)C3(C)C
• InChI: InChI=1S/C49H43NOSi/c1-48(2)40-26-19-30-13-8-9-14-34(30)46(40)39-29-42-38(28-43(39)48)35-25-22-32(27-41(35)49(42,3)4)50(31-20-23-33(24-21-31)52(5,6)7)44-17-12-16-37-36-15-10-11-18-45(36)51-47(37)44/h8-29H,1-7H3
• InChIKey: QMJGKZPDZGBFHU-UHFFFAOYSA-N
• XLogP: 13.37
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.98
LogP ≤ 5	13.37
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 N-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine?

The IUPAC name of N-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine (CID 140758777) is N-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine.

What is the SMILES notation for N-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine?

The canonical SMILES for N-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine is CC1(C)c2cc(N(c3ccc([Si](C)(C)C)cc3)c3cccc4c3oc3ccccc34)ccc2-c2cc3c(cc21)-c1c(ccc2ccccc12)C3(C)C.

What is the InChIKey of N-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine?

The InChIKey is QMJGKZPDZGBFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H43NOSi/c1-48(2)40-26-19-30-13-8-9-14-34(30)46(40)39-29-42-38(28-43(39)48)35-25-22-32(27-41(35)49(42,3)4)50(31-20-23-33(24-21-31)52(5,6)7)44-17-12-16-37-36-15-10-11-18-45(36)51-47(37)44/h8-29H,1-7H3.

What are the key properties of N-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine?

N-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine has a molecular weight of 689.98 g/mol, XLogP of 13.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(12,12,22,22-tetramethyl-19-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)-N-(4-trimethylsilylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 140758777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).