6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-bis(tributylstannyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

C62H90N2O4Sn2 — CID 177470592

About 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-bis(tributylstannyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-bis(tributylstannyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (PubChem CID 177470592) has the molecular formula C62H90N2O4Sn2 and a molecular weight of 1164.83 g/mol. Its IUPAC name is 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-bis(tributylstannyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.

Molecular Properties

• Compound Name: 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-bis(tributylstannyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
• PubChem CID: 177470592
• Molecular Formula: C62H90N2O4Sn2
• Molecular Weight: 1164.83 g/mol
• Exact Mass: 1166.49
• IUPAC Name: 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-bis(tributylstannyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
• SMILES: CCCC[Sn](CCCC)(CCCC)c1cc2c3c(c([Sn](CCCC)(CCCC)CCCC)cc4c3c1C(=O)N(c1c(C(C)C)cccc1C(C)C)C4=O)C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O
• InChI: InChI=1S/C38H36N2O4.6C4H9.2Sn/c1-19(2)23-11-9-12-24(20(3)4)33(23)39-35(41)27-15-17-29-32-30(18-16-28(31(27)32)36(39)42)38(44)40(37(29)43)34-25(21(5)6)13-10-14-26(34)22(7)8;6*1-3-4-2;;/h9-15,18-22H,1-8H3;6*1,3-4H2,2H3
• InChIKey: LEPVVENZJCYVAZ-UHFFFAOYSA-N
• XLogP: 17.05
• TPSA: 74.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 26
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1164.83
LogP ≤ 5	17.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-bis(tributylstannyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?

The IUPAC name of 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-bis(tributylstannyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (CID 177470592) is 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-bis(tributylstannyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.

What is the SMILES notation for 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-bis(tributylstannyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?

The canonical SMILES for 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-bis(tributylstannyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is CCCC[Sn](CCCC)(CCCC)c1cc2c3c(c([Sn](CCCC)(CCCC)CCCC)cc4c3c1C(=O)N(c1c(C(C)C)cccc1C(C)C)C4=O)C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O.

What is the InChIKey of 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-bis(tributylstannyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?

The InChIKey is LEPVVENZJCYVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2O4.6C4H9.2Sn/c1-19(2)23-11-9-12-24(20(3)4)33(23)39-35(41)27-15-17-29-32-30(18-16-28(31(27)32)36(39)42)38(44)40(37(29)43)34-25(21(5)6)13-10-14-26(34)22(7)8;6*1-3-4-2;;/h9-15,18-22H,1-8H3;6*1,3-4H2,2H3;;.

What are the key properties of 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-bis(tributylstannyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?

6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-bis(tributylstannyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone has a molecular weight of 1164.83 g/mol, XLogP of 17.05, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,13-bis[2,6-di(propan-2-yl)phenyl]-2,9-bis(tributylstannyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 177470592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).