25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene

C60H46N2 — CID 177086917

About 25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene

25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene (PubChem CID 177086917) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene.

Molecular Properties

• Compound Name: 25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene
• PubChem CID: 177086917
• Molecular Formula: C60H46N2
• Molecular Weight: 795.04 g/mol
• Exact Mass: 794.37
• IUPAC Name: 25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene
• SMILES: CC1(C)CCC(C)(C)c2c1ccc1c2c2cc3c4cc5ccc6ccccc6c5cc4n(-c4ccc5c(ccc6ccccc65)c4)c3cc2n1-c1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C60H46N2/c1-59(2)29-30-60(3,4)58-52(59)27-28-53-57(58)51-34-50-49-33-42-24-22-39-16-9-11-20-46(39)48(42)35-54(49)62(44-25-26-47-41(32-44)23-21-38-15-8-10-19-45(38)47)55(50)36-56(51)61(53)43-18-12-17-40(31-43)37-13-6-5-7-14-37/h5-28,31-36H,29-30H2,1-4H3
• InChIKey: SBECIFPEEQDCNX-UHFFFAOYSA-N
• XLogP: 16.51
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.04
LogP ≤ 5	16.51
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 25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene?

The IUPAC name of 25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene (CID 177086917) is 25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene.

What is the SMILES notation for 25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene?

The canonical SMILES for 25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene is CC1(C)CCC(C)(C)c2c1ccc1c2c2cc3c4cc5ccc6ccccc6c5cc4n(-c4ccc5c(ccc6ccccc65)c4)c3cc2n1-c1cccc(-c2ccccc2)c1.

What is the InChIKey of 25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene?

The InChIKey is SBECIFPEEQDCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-59(2)29-30-60(3,4)58-52(59)27-28-53-57(58)51-34-50-49-33-42-24-22-39-16-9-11-20-46(39)48(42)35-54(49)62(44-25-26-47-41(32-44)23-21-38-15-8-10-19-45(38)47)55(50)36-56(51)61(53)43-18-12-17-40(31-43)37-13-6-5-7-14-37/h5-28,31-36H,29-30H2,1-4H3.

What are the key properties of 25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene?

25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene has a molecular weight of 795.04 g/mol, XLogP of 16.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene is sourced from PubChem (CID 177086917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).