11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine

C69H50N2 — CID 130462752

About 11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine

11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine (PubChem CID 130462752) has the molecular formula C69H50N2 and a molecular weight of 907.17 g/mol. Its IUPAC name is 11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine.

Molecular Properties

• Compound Name: 11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
• PubChem CID: 130462752
• Molecular Formula: C69H50N2
• Molecular Weight: 907.17 g/mol
• Exact Mass: 906.40
• IUPAC Name: 11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
• SMILES: Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc4-c4ccccc4-3)c3ccccc3-c3c2cc2ccc4cccc5ccc3c2c45)cc1
• InChI: InChI=1S/C69H50N2/c1-43-16-27-50(28-17-43)70(51-29-18-44(2)19-30-51)54-35-38-58-56-12-5-6-13-57(56)59-39-36-55(71(52-31-20-45(3)21-32-52)53-33-22-46(4)23-34-53)42-64(59)69(63(58)41-54)62-15-8-7-14-60(62)68-61-37-26-48-11-9-10-47-24-25-49(40-65(68)69)67(61)66(47)48/h5-42H,1-4H3
• InChIKey: NCLSCGLDHUYMQB-UHFFFAOYSA-N
• XLogP: 18.77
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.17
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine?

The IUPAC name of 11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine (CID 130462752) is 11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine.

What is the SMILES notation for 11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine?

The canonical SMILES for 11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc4-c4ccccc4-3)c3ccccc3-c3c2cc2ccc4cccc5ccc3c2c45)cc1.

What is the InChIKey of 11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine?

The InChIKey is NCLSCGLDHUYMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N2/c1-43-16-27-50(28-17-43)70(51-29-18-44(2)19-30-51)54-35-38-58-56-12-5-6-13-57(56)59-39-36-55(71(52-31-20-45(3)21-32-52)53-33-22-46(4)23-34-53)42-64(59)69(63(58)41-54)62-15-8-7-14-60(62)68-61-37-26-48-11-9-10-47-24-25-49(40-65(68)69)67(61)66(47)48/h5-42H,1-4H3.

What are the key properties of 11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine?

11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine has a molecular weight of 907.17 g/mol, XLogP of 18.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 11-N',11-N',17-N',17-N'-tetrakis(4-methylphenyl)spiro[hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine is sourced from PubChem (CID 130462752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).