carbanide;bis(osmium(4+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide

C64H71N11OOs2 — CID 161099169

About carbanide;bis(osmium(4+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide

carbanide;bis(osmium(4+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide (PubChem CID 161099169) has the molecular formula C64H71N11OOs2 and a molecular weight of 1390.81 g/mol. Its IUPAC name is carbanide;bis(osmium(4+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide.

Molecular Properties

• Compound Name: carbanide;bis(osmium(4+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide
• PubChem CID: 161099169
• Molecular Formula: C64H71N11OOs2
• Molecular Weight: 1390.81 g/mol
• Exact Mass: 1393.51
• IUPAC Name: carbanide;bis(osmium(4+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide
• SMILES: CC12CCC(c3c1n[n-]c3-c1nc(N(C[N-]Cc3ccccn3)c3ccccc3)cc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nc(OC[N-]Cc3ccccn3)cc3ccccc13)C2(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[Os+4].[Os+4]
• InChI: InChI=1S/C33H32N6.C27H27N5O.4CH3.2Os/c1-32(2)26-16-17-33(32,3)31-28(26)30(37-38-31)29-25-15-8-7-11-22(25)19-27(36-29)39(24-13-5-4-6-14-24)21-34-20-23-12-9-10-18-35-23;1-26(2)20-11-12-27(26,3)25-22(20)24(31-32-25)23-19-10-5-4-8-17(19)14-21(30-23)33-16-28-15-18-9-6-7-13-29-18;;;;;;/h4-15,18-19,26H,16-17,20-21H2,1-3H3;4-10,13-14,20H,11-12,15-16H2,1-3H3;4*1H3;;/q2*-2;4*-1;2*+4
• InChIKey: YCVZTFZMTANCHU-UHFFFAOYSA-N
• XLogP: 15.02
• TPSA: 146.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1390.81
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(osmium(4+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide?

The IUPAC name of carbanide;bis(osmium(4+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide (CID 161099169) is carbanide;bis(osmium(4+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide.

What is the SMILES notation for carbanide;bis(osmium(4+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide?

The canonical SMILES for carbanide;bis(osmium(4+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide is CC12CCC(c3c1n[n-]c3-c1nc(N(C[N-]Cc3ccccn3)c3ccccc3)cc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nc(OC[N-]Cc3ccccn3)cc3ccccc13)C2(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[Os+4].[Os+4].

What is the InChIKey of carbanide;bis(osmium(4+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide?

The InChIKey is YCVZTFZMTANCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N6.C27H27N5O.4CH3.2Os/c1-32(2)26-16-17-33(32,3)31-28(26)30(37-38-31)29-25-15-8-7-11-22(25)19-27(36-29)39(24-13-5-4-6-14-24)21-34-20-23-12-9-10-18-35-23;1-26(2)20-11-12-27(26,3)25-22(20)24(31-32-25)23-19-10-5-4-8-17(19)14-21(30-23)33-16-28-15-18-9-6-7-13-29-18;;;;;;/h4-15,18-19,26H,16-17,20-21H2,1-3H3;4-10,13-14,20H,11-12,15-16H2,1-3H3;4*1H3;;/q2*-2;4*-1;2*+4.

What are the key properties of carbanide;bis(osmium(4+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide?

carbanide;bis(osmium(4+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide has a molecular weight of 1390.81 g/mol, XLogP of 15.02, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;bis(osmium(4+));pyridin-2-ylmethyl-[(N-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]anilino)methyl]azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide is sourced from PubChem (CID 161099169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).