dibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine

C37H26Br2N4Ni — CID 58761697

IUPACdibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine
SMILESBr[Ni]Br.C(=N/[C@@H]1C2c3ccccc3C23c2ccccc2C3[C@H]1/N=C/c1ccc2ccccc2n1)\c1ccc2ccccc2n1
InChIInChI=1S/C37H26N4.2BrH.Ni/c1-7-15-31-23(9-1)17-19-25(40-31)21-38-35-33-27-11-3-5-13-29(27)37(33)30-14-6-4-12-28(30)34(37)36(35)39-22-26-20-18-24-10-2-8-16-32(24)41-26;;;/h1-22,33-36H;2*1H;/q;;;+2/p-2/b38-21+,39-22+;;;/t33?,34?,35-,36-,37?;;;/m1.../s1
InChIKeyZYXFVWREEHRDHE-HFCCHMLJSA-L
MW745.14 g/mol
LogP8.94
Rot. Bonds4

About dibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine

dibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine (PubChem CID 58761697) has the molecular formula C37H26Br2N4Ni and a molecular weight of 745.14 g/mol. Its IUPAC name is dibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine.

Molecular Properties

Compound Namedibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine
PubChem CID58761697
Molecular FormulaC37H26Br2N4Ni
Molecular Weight745.14 g/mol
Exact Mass741.99
IUPAC Namedibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine
SMILESBr[Ni]Br.C(=N/[C@@H]1C2c3ccccc3C23c2ccccc2C3[C@H]1/N=C/c1ccc2ccccc2n1)\c1ccc2ccccc2n1
InChIInChI=1S/C37H26N4.2BrH.Ni/c1-7-15-31-23(9-1)17-19-25(40-31)21-38-35-33-27-11-3-5-13-29(27)37(33)30-14-6-4-12-28(30)34(37)36(35)39-22-26-20-18-24-10-2-8-16-32(24)41-26;;;/h1-22,33-36H;2*1H;/q;;;+2/p-2/b38-21+,39-22+;;;/t33?,34?,35-,36-,37?;;;/m1.../s1
InChIKeyZYXFVWREEHRDHE-HFCCHMLJSA-L
XLogP8.94
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.14
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze dibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of dibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine?
The IUPAC name of dibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine (CID 58761697) is dibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine.
What is the SMILES notation for dibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine?
The canonical SMILES for dibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine is Br[Ni]Br.C(=N/[C@@H]1C2c3ccccc3C23c2ccccc2C3[C@H]1/N=C/c1ccc2ccccc2n1)\c1ccc2ccccc2n1.
What is the InChIKey of dibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine?
The InChIKey is ZYXFVWREEHRDHE-HFCCHMLJSA-L. The full InChI is InChI=1S/C37H26N4.2BrH.Ni/c1-7-15-31-23(9-1)17-19-25(40-31)21-38-35-33-27-11-3-5-13-29(27)37(33)30-14-6-4-12-28(30)34(37)36(35)39-22-26-20-18-24-10-2-8-16-32(24)41-26;;;/h1-22,33-36H;2*1H;/q;;;+2/p-2/b38-21+,39-22+;;;/t33?,34?,35-,36-,37?;;;/m1.../s1.
What are the key properties of dibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine?
dibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine has a molecular weight of 745.14 g/mol, XLogP of 8.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibromonickel;1-quinolin-2-yl-N-[(9R,10R)-10-(quinolin-2-ylmethylideneamino)-9-pentacyclo[9.6.0.01,8.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaenyl]methanimine is sourced from PubChem (CID 58761697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).