CID 165050993

C105H85BiN10P5 — CID 165050993

About CID 165050993

CID 165050993 (PubChem CID 165050993) has the molecular formula C105H85BiN10P5 and a molecular weight of 1852.76 g/mol.

Molecular Properties

• Compound Name: CID 165050993
• PubChem CID: 165050993
• Molecular Formula: C105H85BiN10P5
• Molecular Weight: 1852.76 g/mol
• Exact Mass: 1851.55
• IUPAC Name: —
• SMILES: C1=CC2c3cc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)ccc3N(c3ccccc3)C2C=C1.PP(P)P.[3H]P.[BiH2].c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1
• InChI: InChI=1S/C60H44N4.C45H30N6.Bi.H6P4.H3P.2H/c1-5-17-45(18-6-1)61(51-37-39-59-55(41-51)53-25-13-15-27-57(53)63(59)47-21-9-3-10-22-47)49-33-29-43(30-34-49)44-31-35-50(36-32-44)62(46-19-7-2-8-20-46)52-38-40-60-56(42-52)54-26-14-16-28-58(54)64(60)48-23-11-4-12-24-48;1-4-16-34(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;;1-4(2)3;;;/h1-42,53,57H;1-30H;;1-3H2;1H3;;/i;;;;1T
• InChIKey: MDLVNYGRCTXJMA-IZECMEMWSA-N
• XLogP: 27.81
• TPSA: 68.11 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1852.76
LogP ≤ 5	27.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 165050993?

The IUPAC name of CID 165050993 (CID 165050993) is not available.

What is the SMILES notation for CID 165050993?

The canonical SMILES for CID 165050993 is C1=CC2c3cc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)cc4)ccc3N(c3ccccc3)C2C=C1.PP(P)P.[3H]P.[BiH2].c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1.

What is the InChIKey of CID 165050993?

The InChIKey is MDLVNYGRCTXJMA-IZECMEMWSA-N. The full InChI is InChI=1S/C60H44N4.C45H30N6.Bi.H6P4.H3P.2H/c1-5-17-45(18-6-1)61(51-37-39-59-55(41-51)53-25-13-15-27-57(53)63(59)47-21-9-3-10-22-47)49-33-29-43(30-34-49)44-31-35-50(36-32-44)62(46-19-7-2-8-20-46)52-38-40-60-56(42-52)54-26-14-16-28-58(54)64(60)48-23-11-4-12-24-48;1-4-16-34(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;;1-4(2)3;;;/h1-42,53,57H;1-30H;;1-3H2;1H3;;/i;;;;1T;;.

What are the key properties of CID 165050993?

CID 165050993 has a molecular weight of 1852.76 g/mol, XLogP of 27.81, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for CID 165050993 is sourced from PubChem (CID 165050993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).