CID 140759693

C33H22N+ — CID 140759693

About CID 140759693

CID 140759693 (PubChem CID 140759693) has the molecular formula C33H22N+ and a molecular weight of 432.55 g/mol.

Molecular Properties

• Compound Name: CID 140759693
• PubChem CID: 140759693
• Molecular Formula: C33H22N+
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.17
• IUPAC Name: —
• SMILES: CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2ccc3c4c([nH]c3c21)C=C[C+]=C4
• InChI: InChI=1S/C33H22N/c1-33(2)29-18-27-22-12-6-4-10-20(22)19-9-3-5-11-21(19)26(27)17-28(29)24-15-16-25-23-13-7-8-14-30(23)34-32(25)31(24)33/h3-6,8-18,34H,1-2H3/q+1
• InChIKey: MFLFOBWNAXPSFC-UHFFFAOYSA-N
• XLogP: 8.78
• TPSA: 15.79 Ų
• H-Bond Donors: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	8.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 140759693?

The IUPAC name of CID 140759693 (CID 140759693) is not available.

What is the SMILES notation for CID 140759693?

The canonical SMILES for CID 140759693 is CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2ccc3c4c([nH]c3c21)C=C[C+]=C4.

What is the InChIKey of CID 140759693?

The InChIKey is MFLFOBWNAXPSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N/c1-33(2)29-18-27-22-12-6-4-10-20(22)19-9-3-5-11-21(19)26(27)17-28(29)24-15-16-25-23-13-7-8-14-30(23)34-32(25)31(24)33/h3-6,8-18,34H,1-2H3/q+1.

What are the key properties of CID 140759693?

CID 140759693 has a molecular weight of 432.55 g/mol, XLogP of 8.78, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for CID 140759693 is sourced from PubChem (CID 140759693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).