CID 165375208

C51H58N6O — CID 165375208

About CID 165375208

CID 165375208 (PubChem CID 165375208) has the molecular formula C51H58N6O and a molecular weight of 771.07 g/mol.

Molecular Properties

• Compound Name: CID 165375208
• PubChem CID: 165375208
• Molecular Formula: C51H58N6O
• Molecular Weight: 771.07 g/mol
• Exact Mass: 770.47
• IUPAC Name: —
• SMILES: CN1CN2c3cc(Oc4cccc(-n5[c-][n+](C)nn5)c4)ccc3C3(c4cccc1c42)c1c(cc(C(C)(C)C)cc1C(C)(C)C)-c1cc(C(C)(C)C)cc(C(C)(C)C)c13
• InChI: InChI=1S/C51H58N6O/c1-47(2,3)31-23-36-37-24-32(48(4,5)6)26-41(50(10,11)12)45(37)51(44(36)40(25-31)49(7,8)9)38-22-21-35(58-34-18-15-17-33(27-34)57-30-55(14)52-53-57)28-43(38)56-29-54(13)42-20-16-19-39(51)46(42)56/h15-28H,29H2,1-14H3
• InChIKey: LCFPHYXPLFQDLC-UHFFFAOYSA-N
• XLogP: 11.10
• TPSA: 50.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	771.07
LogP ≤ 5	11.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 165375208?

The IUPAC name of CID 165375208 (CID 165375208) is not available.

What is the SMILES notation for CID 165375208?

The canonical SMILES for CID 165375208 is CN1CN2c3cc(Oc4cccc(-n5[c-][n+](C)nn5)c4)ccc3C3(c4cccc1c42)c1c(cc(C(C)(C)C)cc1C(C)(C)C)-c1cc(C(C)(C)C)cc(C(C)(C)C)c13.

What is the InChIKey of CID 165375208?

The InChIKey is LCFPHYXPLFQDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H58N6O/c1-47(2,3)31-23-36-37-24-32(48(4,5)6)26-41(50(10,11)12)45(37)51(44(36)40(25-31)49(7,8)9)38-22-21-35(58-34-18-15-17-33(27-34)57-30-55(14)52-53-57)28-43(38)56-29-54(13)42-20-16-19-39(51)46(42)56/h15-28H,29H2,1-14H3.

What are the key properties of CID 165375208?

CID 165375208 has a molecular weight of 771.07 g/mol, XLogP of 11.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 165375208 is sourced from PubChem (CID 165375208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).