3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene

C62H38N2 — CID 87414645

About 3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene

3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene (PubChem CID 87414645) has the molecular formula C62H38N2 and a molecular weight of 811.00 g/mol. Its IUPAC name is 3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene.

Molecular Properties

• Compound Name: 3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene
• PubChem CID: 87414645
• Molecular Formula: C62H38N2
• Molecular Weight: 811.00 g/mol
• Exact Mass: 810.30
• IUPAC Name: 3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene
• SMILES: c1ccc(-c2ccc3c4c5ccccc5c5c(c6ccccc6c6c7ccc(-c8ccccc8)cc7n(-c7ccc8ccccc8c7)c65)c4n(-c4ccc5ccccc5c4)c3c2)cc1
• InChI: InChI=1S/C62H38N2/c1-3-15-39(16-4-1)45-29-33-53-55(37-45)63(47-31-27-41-19-7-9-21-43(41)35-47)61-57(53)49-23-11-13-25-51(49)60-59(61)52-26-14-12-24-50(52)58-54-34-30-46(40-17-5-2-6-18-40)38-56(54)64(62(58)60)48-32-28-42-20-8-10-22-44(42)36-48/h1-38H
• InChIKey: NUUPJGNEQFGGEL-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.00
LogP ≤ 5	16.98
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 3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene?

The IUPAC name of 3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene (CID 87414645) is 3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene.

What is the SMILES notation for 3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene?

The canonical SMILES for 3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene is c1ccc(-c2ccc3c4c5ccccc5c5c(c6ccccc6c6c7ccc(-c8ccccc8)cc7n(-c7ccc8ccccc8c7)c65)c4n(-c4ccc5ccccc5c4)c3c2)cc1.

What is the InChIKey of 3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene?

The InChIKey is NUUPJGNEQFGGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2/c1-3-15-39(16-4-1)45-29-33-53-55(37-45)63(47-31-27-41-19-7-9-21-43(41)35-47)61-57(53)49-23-11-13-25-51(49)60-59(61)52-26-14-12-24-50(52)58-54-34-30-46(40-17-5-2-6-18-40)38-56(54)64(62(58)60)48-32-28-42-20-8-10-22-44(42)36-48/h1-38H.

What are the key properties of 3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene?

3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene has a molecular weight of 811.00 g/mol, XLogP of 16.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,19-dinaphthalen-2-yl-6,22-diphenyl-3,19-diazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene is sourced from PubChem (CID 87414645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).