CID 160681722

C155H115BiN10OP3 — CID 160681722

About CID 160681722

CID 160681722 (PubChem CID 160681722) has the molecular formula C155H115BiN10OP3 and a molecular weight of 2437.60 g/mol.

Molecular Properties

• Compound Name: CID 160681722
• PubChem CID: 160681722
• Molecular Formula: C155H115BiN10OP3
• Molecular Weight: 2437.60 g/mol
• Exact Mass: 2435.84
• IUPAC Name: —
• SMILES: [3H]P.[BiH2].c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C45H30N6.C44H32N2.C36H28OP2.C30H20N2.Bi.H3P.2H/c1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32;;;;/h1-30H;1-32H;1-28H;1-20H;;1H3;;/i;;;;;1T
• InChIKey: ZJEQMGQSPIRKGR-IXOIAGMQSA-N
• XLogP: 37.32
• TPSA: 79.03 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 23
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2437.60
LogP ≤ 5	37.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 160681722?

The IUPAC name of CID 160681722 (CID 160681722) is not available.

What is the SMILES notation for CID 160681722?

The canonical SMILES for CID 160681722 is [3H]P.[BiH2].c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of CID 160681722?

The InChIKey is ZJEQMGQSPIRKGR-IXOIAGMQSA-N. The full InChI is InChI=1S/C45H30N6.C44H32N2.C36H28OP2.C30H20N2.Bi.H3P.2H/c1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36;1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-5-16-27-23(12-1)24-13-2-6-17-28(24)31(27)21-10-9-11-22(20-21)32-29-18-7-3-14-25(29)26-15-4-8-19-30(26)32;;;;/h1-30H;1-32H;1-28H;1-20H;;1H3;;/i;;;;;1T;;.

What are the key properties of CID 160681722?

CID 160681722 has a molecular weight of 2437.60 g/mol, XLogP of 37.32, 23 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for CID 160681722 is sourced from PubChem (CID 160681722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).