5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;phenylmethoxymethanone;vanadium

C50H39N2O2V- — CID 162249395

About 5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;phenylmethoxymethanone;vanadium

5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;phenylmethoxymethanone;vanadium (PubChem CID 162249395) has the molecular formula C50H39N2O2V- and a molecular weight of 750.82 g/mol. Its IUPAC name is 5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;phenylmethoxymethanone;vanadium.

Molecular Properties

• Compound Name: 5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;phenylmethoxymethanone;vanadium
• PubChem CID: 162249395
• Molecular Formula: C50H39N2O2V-
• Molecular Weight: 750.82 g/mol
• Exact Mass: 750.25
• IUPAC Name: 5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;phenylmethoxymethanone;vanadium
• SMILES: CC1(C)c2ccccc2-n2c3ccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C6(C)C)cc3c3cccc1c32.O=[C-]OCc1ccccc1.[V]
• InChI: InChI=1S/C42H32N2.C8H7O2.V/c1-41(2)31-13-5-7-17-37(31)43-35-21-19-25(23-29(35)27-11-9-15-33(41)39(27)43)26-20-22-36-30(24-26)28-12-10-16-34-40(28)44(36)38-18-8-6-14-32(38)42(34,3)4;9-7-10-6-8-4-2-1-3-5-8;/h5-24H,1-4H3;1-5H,6H2;/q;-1
• InChIKey: JUXXMWZBBYKSSZ-UHFFFAOYSA-N
• XLogP: 12.09
• TPSA: 36.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.82
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;phenylmethoxymethanone;vanadium?

The IUPAC name of 5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;phenylmethoxymethanone;vanadium (CID 162249395) is 5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;phenylmethoxymethanone;vanadium.

What is the SMILES notation for 5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;phenylmethoxymethanone;vanadium?

The canonical SMILES for 5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;phenylmethoxymethanone;vanadium is CC1(C)c2ccccc2-n2c3ccc(-c4ccc5c(c4)c4cccc6c4n5-c4ccccc4C6(C)C)cc3c3cccc1c32.O=[C-]OCc1ccccc1.[V].

What is the InChIKey of 5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;phenylmethoxymethanone;vanadium?

The InChIKey is JUXXMWZBBYKSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2.C8H7O2.V/c1-41(2)31-13-5-7-17-37(31)43-35-21-19-25(23-29(35)27-11-9-15-33(41)39(27)43)26-20-22-36-30(24-26)28-12-10-16-34-40(28)44(36)38-18-8-6-14-32(38)42(34,3)4;9-7-10-6-8-4-2-1-3-5-8;/h5-24H,1-4H3;1-5H,6H2;/q;-1;.

What are the key properties of 5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;phenylmethoxymethanone;vanadium?

5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;phenylmethoxymethanone;vanadium has a molecular weight of 750.82 g/mol, XLogP of 12.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;phenylmethoxymethanone;vanadium is sourced from PubChem (CID 162249395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).