10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine

C62H60N2O2Si2 — CID 155644974

About 10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine

10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine (PubChem CID 155644974) has the molecular formula C62H60N2O2Si2 and a molecular weight of 921.35 g/mol. Its IUPAC name is 10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine.

Molecular Properties

• Compound Name: 10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
• PubChem CID: 155644974
• Molecular Formula: C62H60N2O2Si2
• Molecular Weight: 921.35 g/mol
• Exact Mass: 920.42
• IUPAC Name: 10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine
• SMILES: Cc1cc(N(c2ccc([Si](C)(C)C)cc2)c2cc3oc4ccc5oc6cc(N(c7ccc([Si](C)(C)C)cc7)c7cc(C)c(C)c(C)c7)c7ccccc7c6c5c4c3c3ccccc23)cc(C)c1C
• InChI: InChI=1S/C62H60N2O2Si2/c1-37-31-45(32-38(2)41(37)5)63(43-21-25-47(26-22-43)67(7,8)9)53-35-57-59(51-19-15-13-17-49(51)53)61-55(65-57)29-30-56-62(61)60-52-20-16-14-18-50(52)54(36-58(60)66-56)64(46-33-39(3)42(6)40(4)34-46)44-23-27-48(28-24-44)68(10,11)12/h13-36H,1-12H3
• InChIKey: FNIIMHHAZURWGY-UHFFFAOYSA-N
• XLogP: 17.67
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.35
LogP ≤ 5	17.67
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 10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?

The IUPAC name of 10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine (CID 155644974) is 10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine.

What is the SMILES notation for 10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?

The canonical SMILES for 10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine is Cc1cc(N(c2ccc([Si](C)(C)C)cc2)c2cc3oc4ccc5oc6cc(N(c7ccc([Si](C)(C)C)cc7)c7cc(C)c(C)c(C)c7)c7ccccc7c6c5c4c3c3ccccc23)cc(C)c1C.

What is the InChIKey of 10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?

The InChIKey is FNIIMHHAZURWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H60N2O2Si2/c1-37-31-45(32-38(2)41(37)5)63(43-21-25-47(26-22-43)67(7,8)9)53-35-57-59(51-19-15-13-17-49(51)53)61-55(65-57)29-30-56-62(61)60-52-20-16-14-18-50(52)54(36-58(60)66-56)64(46-33-39(3)42(6)40(4)34-46)44-23-27-48(28-24-44)68(10,11)12/h13-36H,1-12H3.

What are the key properties of 10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine?

10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine has a molecular weight of 921.35 g/mol, XLogP of 17.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,21-N-bis(3,4,5-trimethylphenyl)-10-N,21-N-bis(4-trimethylsilylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.022,27]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-10,21-diamine is sourced from PubChem (CID 155644974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).