CID 163766399

C200H245B10Y5-10 — CID 163766399

About CID 163766399

CID 163766399 (PubChem CID 163766399) has the molecular formula C200H245B10Y5-10 and a molecular weight of 3201.81 g/mol.

Molecular Properties

• Compound Name: CID 163766399
• PubChem CID: 163766399
• Molecular Formula: C200H245B10Y5-10
• Molecular Weight: 3201.81 g/mol
• Exact Mass: 3201.54
• IUPAC Name: —
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[B][B]C.[B][B]C.[B][B]C.[B][B]C.[B][B]C.[Y].[Y].[Y].[Y].[Y].[c-]1cc2c(cc1C1(c3[c-]c4ccccc4cc3)C3CC4CC(C3)CC1C4)-c1ccccc1C2.[c-]1cc2ccccc2cc1C1(c2[c-]c3c(cc2)-c2ccccc2C3)C2CC3CC(C2)CC1C3.[c-]1cc2ccccc2cc1C1(c2[c-]c3c(cc2)Cc2ccccc2-3)C2CC3CC(C2)CC1C3.[c-]1ccc2c(c1C1(c3[c-]c4ccccc4cc3)C3CC4CC(C3)CC1C4)-c1ccccc1C2.[c-]1ccc2c(c1C1(c3[c-]c4ccccc4cc3)C3CC4CC(C3)CC1C4)Cc1ccccc1-2
• InChI: InChI=1S/5C33H28.15C2H6.5CH3B2.5Y/c1-2-7-24-20-27(13-12-23(24)6-1)33(28-15-21-14-22(17-28)18-29(33)16-21)31-11-5-9-26-19-25-8-3-4-10-30(25)32(26)31;1-2-7-24-19-26(13-12-23(24)6-1)33(27-15-21-14-22(17-27)18-28(33)16-21)32-11-5-10-30-29-9-4-3-8-25(29)20-31(30)32;2*1-2-6-24-19-27(11-9-23(24)5-1)33(29-14-21-13-22(16-29)17-30(33)15-21)28-12-10-26-18-25-7-3-4-8-31(25)32(26)20-28;1-2-6-24-19-27(10-9-23(24)5-1)33(29-14-21-13-22(16-29)17-30(33)15-21)28-11-12-32-26(20-28)18-25-7-3-4-8-31(25)32;15*1-2;5*1-3-2;;;;;/h1-10,12-13,21-22,28-29H,14-19H2;1-10,12-13,21-22,27-28H,14-18,20H2;1-10,12,19,21-22,29-30H,13-18H2;1-11,20-22,29-30H,13-18H2;1-9,11-12,19,21-22,29-30H,13-18H2;15*1-2H3;5*1H3;;;;;/q5*-2
• InChIKey: KBGVGIHILDHDHO-UHFFFAOYSA-N
• XLogP: 53.26
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3201.81
LogP ≤ 5	53.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 163766399?

The IUPAC name of CID 163766399 (CID 163766399) is not available.

What is the SMILES notation for CID 163766399?

The canonical SMILES for CID 163766399 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[B][B]C.[B][B]C.[B][B]C.[B][B]C.[B][B]C.[Y].[Y].[Y].[Y].[Y].[c-]1cc2c(cc1C1(c3[c-]c4ccccc4cc3)C3CC4CC(C3)CC1C4)-c1ccccc1C2.[c-]1cc2ccccc2cc1C1(c2[c-]c3c(cc2)-c2ccccc2C3)C2CC3CC(C2)CC1C3.[c-]1cc2ccccc2cc1C1(c2[c-]c3c(cc2)Cc2ccccc2-3)C2CC3CC(C2)CC1C3.[c-]1ccc2c(c1C1(c3[c-]c4ccccc4cc3)C3CC4CC(C3)CC1C4)-c1ccccc1C2.[c-]1ccc2c(c1C1(c3[c-]c4ccccc4cc3)C3CC4CC(C3)CC1C4)Cc1ccccc1-2.

What is the InChIKey of CID 163766399?

The InChIKey is KBGVGIHILDHDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/5C33H28.15C2H6.5CH3B2.5Y/c1-2-7-24-20-27(13-12-23(24)6-1)33(28-15-21-14-22(17-28)18-29(33)16-21)31-11-5-9-26-19-25-8-3-4-10-30(25)32(26)31;1-2-7-24-19-26(13-12-23(24)6-1)33(27-15-21-14-22(17-27)18-28(33)16-21)32-11-5-10-30-29-9-4-3-8-25(29)20-31(30)32;2*1-2-6-24-19-27(11-9-23(24)5-1)33(29-14-21-13-22(16-29)17-30(33)15-21)28-12-10-26-18-25-7-3-4-8-31(25)32(26)20-28;1-2-6-24-19-27(10-9-23(24)5-1)33(29-14-21-13-22(16-29)17-30(33)15-21)28-11-12-32-26(20-28)18-25-7-3-4-8-31(25)32;15*1-2;5*1-3-2;;;;;/h1-10,12-13,21-22,28-29H,14-19H2;1-10,12-13,21-22,27-28H,14-18,20H2;1-10,12,19,21-22,29-30H,13-18H2;1-11,20-22,29-30H,13-18H2;1-9,11-12,19,21-22,29-30H,13-18H2;15*1-2H3;5*1H3;;;;;/q5*-2;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of CID 163766399?

CID 163766399 has a molecular weight of 3201.81 g/mol, XLogP of 53.26, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for CID 163766399 is sourced from PubChem (CID 163766399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).