CID 157163540

C143H107Co4N29OP2Si- — CID 157163540

About CID 157163540

CID 157163540 (PubChem CID 157163540) has the molecular formula C143H107Co4N29OP2Si- and a molecular weight of 2573.40 g/mol.

Molecular Properties

• Compound Name: CID 157163540
• PubChem CID: 157163540
• Molecular Formula: C143H107Co4N29OP2Si-
• Molecular Weight: 2573.40 g/mol
• Exact Mass: 2571.58
• IUPAC Name: —
• SMILES: CN1c2ccccc2N(c2[c-]cccc2)c2nc3n(c21)N(C)CCN3c1cccc(-c2cn(C)c3c2[n-]c[n+]3C)n1.C[PH+]=C(C)N1c2ccccc2Oc2cc3c4ccccc4n(-c4cccc(-n5ccc6ccc[c-]c65)n4)c3nc21.Cn1c(-p2ccc3ccc(-n4c5ccccc5c5cc6c(nc54)C(n4ncc5ccccc54)c4ccccc4-6)nc32)[c-]c2ccccc21.Cn1ccnc1-n1ccc2c1nc(-n1c3ccccc3n3c4c5ccccc5n([Si](c5ccccc5)c5ccccc5)c4[c-]c13)n2C.[Co+2].[Co].[Co].[Co]
• InChI: InChI=1S/C41H26N6P.C38H28N8Si.C33H23N5OP.C31H29N10.4Co/c1-45-33-15-7-2-10-26(33)22-37(45)48-21-20-25-18-19-36(43-41(25)48)46-35-17-9-6-13-29(35)32-23-31-28-12-4-5-14-30(28)39(38(31)44-40(32)46)47-34-16-8-3-11-27(34)24-42-47;1-41-24-22-39-37(41)43-23-21-32-36(43)40-38(42(32)2)45-31-20-12-11-19-30(31)44-34(45)25-33-35(44)28-17-9-10-18-29(28)46(33)47(26-13-5-3-6-14-26)27-15-7-4-8-16-27;1-21(40-2)37-27-14-7-8-15-28(27)39-29-20-24-23-11-4-6-13-26(23)38(32(24)35-33(29)37)31-17-9-16-30(34-31)36-19-18-22-10-3-5-12-25(22)36;1-35-19-22(27-29(35)36(2)20-32-27)23-13-10-16-26(33-23)39-18-17-37(3)41-30-28(34-31(39)41)40(21-11-6-5-7-12-21)25-15-9-8-14-24(25)38(30)4;;;;/h2-21,23-24,39H,1H3;3-24H,1-2H3;3-11,13-20H,1-2H3;5-11,13-16,19-20H,17-18H2,1-4H3;;;;/q4*-1;;;;+2/p+1
• InChIKey: AMMUOFOGYWTNKN-UHFFFAOYSA-O
• XLogP: 28.12
• TPSA: 222.99 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2573.40
LogP ≤ 5	28.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 157163540?

The IUPAC name of CID 157163540 (CID 157163540) is not available.

What is the SMILES notation for CID 157163540?

The canonical SMILES for CID 157163540 is CN1c2ccccc2N(c2[c-]cccc2)c2nc3n(c21)N(C)CCN3c1cccc(-c2cn(C)c3c2[n-]c[n+]3C)n1.C[PH+]=C(C)N1c2ccccc2Oc2cc3c4ccccc4n(-c4cccc(-n5ccc6ccc[c-]c65)n4)c3nc21.Cn1c(-p2ccc3ccc(-n4c5ccccc5c5cc6c(nc54)C(n4ncc5ccccc54)c4ccccc4-6)nc32)[c-]c2ccccc21.Cn1ccnc1-n1ccc2c1nc(-n1c3ccccc3n3c4c5ccccc5n([Si](c5ccccc5)c5ccccc5)c4[c-]c13)n2C.[Co+2].[Co].[Co].[Co].

What is the InChIKey of CID 157163540?

The InChIKey is AMMUOFOGYWTNKN-UHFFFAOYSA-O. The full InChI is InChI=1S/C41H26N6P.C38H28N8Si.C33H23N5OP.C31H29N10.4Co/c1-45-33-15-7-2-10-26(33)22-37(45)48-21-20-25-18-19-36(43-41(25)48)46-35-17-9-6-13-29(35)32-23-31-28-12-4-5-14-30(28)39(38(31)44-40(32)46)47-34-16-8-3-11-27(34)24-42-47;1-41-24-22-39-37(41)43-23-21-32-36(43)40-38(42(32)2)45-31-20-12-11-19-30(31)44-34(45)25-33-35(44)28-17-9-10-18-29(28)46(33)47(26-13-5-3-6-14-26)27-15-7-4-8-16-27;1-21(40-2)37-27-14-7-8-15-28(27)39-29-20-24-23-11-4-6-13-26(23)38(32(24)35-33(29)37)31-17-9-16-30(34-31)36-19-18-22-10-3-5-12-25(22)36;1-35-19-22(27-29(35)36(2)20-32-27)23-13-10-16-26(33-23)39-18-17-37(3)41-30-28(34-31(39)41)40(21-11-6-5-7-12-21)25-15-9-8-14-24(25)38(30)4;;;;/h2-21,23-24,39H,1H3;3-24H,1-2H3;3-11,13-20H,1-2H3;5-11,13-16,19-20H,17-18H2,1-4H3;;;;/q4*-1;;;;+2/p+1.

What are the key properties of CID 157163540?

CID 157163540 has a molecular weight of 2573.40 g/mol, XLogP of 28.12, 14 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for CID 157163540 is sourced from PubChem (CID 157163540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).