18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine

C₄₂H₃₇NOSi₂ — CID 155761195

About 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine

18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine (PubChem CID 155761195) has the molecular formula C₄₂H₃₇NOSi₂ and a molecular weight of 627.94 g/mol. Its IUPAC name is 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine.

Molecular Properties

• Compound Name: 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
• PubChem CID: 155761195
• Molecular Formula: C₄₂H₃₇NOSi₂
• Molecular Weight: 627.94 g/mol
• Exact Mass: 627.24
• IUPAC Name: 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)[Si](C)(C)c2c4c(c5oc6ccccc6c5c2-3)-c2ccccc2[Si]4(C)C)cc1
• InChI: InChI=1S/C42H37NOSi2/c1-26-15-19-28(20-16-26)43(29-21-17-27(2)18-22-29)30-23-24-33-36(25-30)46(5,6)41-38(33)37-31-11-7-9-13-34(31)44-40(37)39-32-12-8-10-14-35(32)45(3,4)42(39)41/h7-25H,1-6H3
• InChIKey: ZIVBQOLSQHNOPE-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.94
LogP ≤ 5	9.28
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 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine?

The IUPAC name of 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine (CID 155761195) is 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine.

What is the SMILES notation for 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine?

The canonical SMILES for 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)[Si](C)(C)c2c4c(c5oc6ccccc6c5c2-3)-c2ccccc2[Si]4(C)C)cc1.

What is the InChIKey of 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine?

The InChIKey is ZIVBQOLSQHNOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37NOSi2/c1-26-15-19-28(20-16-26)43(29-21-17-27(2)18-22-29)30-23-24-33-36(25-30)46(5,6)41-38(33)37-31-11-7-9-13-34(31)44-40(37)39-32-12-8-10-14-35(32)45(3,4)42(39)41/h7-25H,1-6H3.

What are the key properties of 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine?

18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine has a molecular weight of 627.94 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 18,18,21,21-tetramethyl-N,N-bis(4-methylphenyl)-9-oxa-18,21-disilaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine is sourced from PubChem (CID 155761195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155761195 — identifiers, structure, computed properties (public domain)

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