28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene

C38H26N2 — CID 122527897

About 28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene

28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene (PubChem CID 122527897) has the molecular formula C38H26N2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene.

Molecular Properties

• Compound Name: 28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
• PubChem CID: 122527897
• Molecular Formula: C38H26N2
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.21
• IUPAC Name: 28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
• SMILES: CC1(C)c2ccccc2-c2cc3c4cc5c6ccccc6c6ccccc6c5cc4n(-c4ccccn4)c3cc21
• InChI: InChI=1S/C38H26N2/c1-38(2)33-16-8-7-15-27(33)30-20-32-31-19-28-25-13-5-3-11-23(25)24-12-4-6-14-26(24)29(28)21-35(31)40(36(32)22-34(30)38)37-17-9-10-18-39-37/h3-22H,1-2H3
• InChIKey: WKVVIOJOYZVOOA-UHFFFAOYSA-N
• XLogP: 9.94
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	9.94
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 28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene?

The IUPAC name of 28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene (CID 122527897) is 28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene.

What is the SMILES notation for 28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene?

The canonical SMILES for 28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene is CC1(C)c2ccccc2-c2cc3c4cc5c6ccccc6c6ccccc6c5cc4n(-c4ccccn4)c3cc21.

What is the InChIKey of 28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene?

The InChIKey is WKVVIOJOYZVOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2/c1-38(2)33-16-8-7-15-27(33)30-20-32-31-19-28-25-13-5-3-11-23(25)24-12-4-6-14-26(24)29(28)21-35(31)40(36(32)22-34(30)38)37-17-9-10-18-39-37/h3-22H,1-2H3.

What are the key properties of 28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene?

28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene has a molecular weight of 510.64 g/mol, XLogP of 9.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 28,28-dimethyl-32-pyridin-2-yl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene is sourced from PubChem (CID 122527897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).