9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene

C42H28N2 — CID 135162840

About 9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene

9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene (PubChem CID 135162840) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene.

Molecular Properties

• Compound Name: 9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene
• PubChem CID: 135162840
• Molecular Formula: C42H28N2
• Molecular Weight: 560.70 g/mol
• Exact Mass: 560.23
• IUPAC Name: 9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene
• SMILES: c1ccc(N2c3ccccc3C3c4ccccc4-c4c(c5ccccc5c5c4c4ccccc4n5-c4ccccc4)C32)cc1
• InChI: InChI=1S/C42H28N2/c1-3-15-27(16-4-1)43-36-26-14-12-24-34(36)40-38-30-20-8-7-19-29(30)37-33-23-11-13-25-35(33)44(28-17-5-2-6-18-28)42(37)39(38)31-21-9-10-22-32(31)41(40)43/h1-26,37,42H
• InChIKey: IAPADYWSLHLFBO-UHFFFAOYSA-N
• XLogP: 10.94
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.70
LogP ≤ 5	10.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene?

The IUPAC name of 9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene (CID 135162840) is 9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene.

What is the SMILES notation for 9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene?

The canonical SMILES for 9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene is c1ccc(N2c3ccccc3C3c4ccccc4-c4c(c5ccccc5c5c4c4ccccc4n5-c4ccccc4)C32)cc1.

What is the InChIKey of 9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene?

The InChIKey is IAPADYWSLHLFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-3-15-27(16-4-1)43-36-26-14-12-24-34(36)40-38-30-20-8-7-19-29(30)37-33-23-11-13-25-35(33)44(28-17-5-2-6-18-28)42(37)39(38)31-21-9-10-22-32(31)41(40)43/h1-26,37,42H.

What are the key properties of 9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene?

9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene has a molecular weight of 560.70 g/mol, XLogP of 10.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,19-diphenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,20,22,24,27,29,31-tetradecaene is sourced from PubChem (CID 135162840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).