9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine

C70H62N2O2Si2 — CID 140758762

About 9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine

9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine (PubChem CID 140758762) has the molecular formula C70H62N2O2Si2 and a molecular weight of 1019.45 g/mol. Its IUPAC name is 9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine.

Molecular Properties

• Compound Name: 9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine
• PubChem CID: 140758762
• Molecular Formula: C70H62N2O2Si2
• Molecular Weight: 1019.45 g/mol
• Exact Mass: 1018.43
• IUPAC Name: 9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine
• SMILES: CC1(C)c2cc(N(c3ccc([Si](C)(C)C)cc3)c3cccc4c3oc3ccccc34)ccc2-c2ccc3c(c21)C(C)(C)c1cc(N(c2ccc([Si](C)(C)C)cc2)c2cccc4c2oc2ccccc24)c2ccccc2c1-3
• InChI: InChI=1S/C70H62N2O2Si2/c1-69(2)57-41-45(71(43-29-34-46(35-30-43)75(5,6)7)59-25-17-23-54-50-20-13-15-27-62(50)73-67(54)59)33-38-48(57)53-39-40-56-64-52-22-12-11-19-49(52)61(42-58(64)70(3,4)66(56)65(53)69)72(44-31-36-47(37-32-44)76(8,9)10)60-26-18-24-55-51-21-14-16-28-63(51)74-68(55)60/h11-42H,1-10H3
• InChIKey: YFCQCHNXLYUILV-UHFFFAOYSA-N
• XLogP: 19.28
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.45
LogP ≤ 5	19.28
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 9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine?

The IUPAC name of 9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine (CID 140758762) is 9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine.

What is the SMILES notation for 9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine?

The canonical SMILES for 9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine is CC1(C)c2cc(N(c3ccc([Si](C)(C)C)cc3)c3cccc4c3oc3ccccc34)ccc2-c2ccc3c(c21)C(C)(C)c1cc(N(c2ccc([Si](C)(C)C)cc2)c2cccc4c2oc2ccccc24)c2ccccc2c1-3.

What is the InChIKey of 9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine?

The InChIKey is YFCQCHNXLYUILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H62N2O2Si2/c1-69(2)57-41-45(71(43-29-34-46(35-30-43)75(5,6)7)59-25-17-23-54-50-20-13-15-27-62(50)73-67(54)59)33-38-48(57)53-39-40-56-64-52-22-12-11-19-49(52)61(42-58(64)70(3,4)66(56)65(53)69)72(44-31-36-47(37-32-44)76(8,9)10)60-26-18-24-55-51-21-14-16-28-63(51)74-68(55)60/h11-42H,1-10H3.

What are the key properties of 9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine?

9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine has a molecular weight of 1019.45 g/mol, XLogP of 19.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine is sourced from PubChem (CID 140758762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).