3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine

C62H52N2 — CID 118133914

About 3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine

3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine (PubChem CID 118133914) has the molecular formula C62H52N2 and a molecular weight of 825.11 g/mol. Its IUPAC name is 3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine.

Molecular Properties

• Compound Name: 3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine
• PubChem CID: 118133914
• Molecular Formula: C62H52N2
• Molecular Weight: 825.11 g/mol
• Exact Mass: 824.41
• IUPAC Name: 3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine
• SMILES: Cc1ccccc1N(c1ccc2c(c1)C(C)(C)c1c-2cc2ccc3cc4c(c5ccc1c2c35)C(C)(C)c1cc(N(c2ccccc2C)c2ccccc2C)ccc1-4)c1ccccc1C
• InChI: InChI=1S/C62H52N2/c1-37-17-9-13-21-53(37)63(54-22-14-10-18-38(54)2)43-27-29-45-49-33-41-25-26-42-34-50-46-30-28-44(64(55-23-15-11-19-39(55)3)56-24-16-12-20-40(56)4)36-52(46)62(7,8)60(50)48-32-31-47(57(41)58(42)48)59(49)61(5,6)51(45)35-43/h9-36H,1-8H3
• InChIKey: MBYRFNIEFMSKNJ-UHFFFAOYSA-N
• XLogP: 17.37
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.11
LogP ≤ 5	17.37
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 3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine?

The IUPAC name of 3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine (CID 118133914) is 3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine.

What is the SMILES notation for 3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine?

The canonical SMILES for 3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine is Cc1ccccc1N(c1ccc2c(c1)C(C)(C)c1c-2cc2ccc3cc4c(c5ccc1c2c35)C(C)(C)c1cc(N(c2ccccc2C)c2ccccc2C)ccc1-4)c1ccccc1C.

What is the InChIKey of 3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine?

The InChIKey is MBYRFNIEFMSKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N2/c1-37-17-9-13-21-53(37)63(54-22-14-10-18-38(54)2)43-27-29-45-49-33-41-25-26-42-34-50-46-30-28-44(64(55-23-15-11-19-39(55)3)56-24-16-12-20-40(56)4)36-52(46)62(7,8)60(50)48-32-31-47(57(41)58(42)48)59(49)61(5,6)51(45)35-43/h9-36H,1-8H3.

What are the key properties of 3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine?

3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine has a molecular weight of 825.11 g/mol, XLogP of 17.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine is sourced from PubChem (CID 118133914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).