3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole

C38H22N4OS — CID 140953707

About 3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole

3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 140953707) has the molecular formula C38H22N4OS and a molecular weight of 582.69 g/mol. Its IUPAC name is 3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
• PubChem CID: 140953707
• Molecular Formula: C38H22N4OS
• Molecular Weight: 582.69 g/mol
• Exact Mass: 582.15
• IUPAC Name: 3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
• SMILES: c1ccc(-n2c3cc(Oc4ccc5c6ccccc6n6ccnc6c5c4)ccc3c3c4sc5ccccc5c4ccc32)nc1
• InChI: InChI=1S/C38H22N4OS/c1-3-9-31-26(7-1)25-14-12-23(21-30(25)38-40-19-20-41(31)38)43-24-13-15-29-33(22-24)42(35-11-5-6-18-39-35)32-17-16-28-27-8-2-4-10-34(27)44-37(28)36(29)32/h1-22H
• InChIKey: FLAUGBCVBDHWIH-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 44.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.69
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?

The IUPAC name of 3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole (CID 140953707) is 3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole.

What is the SMILES notation for 3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?

The canonical SMILES for 3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole is c1ccc(-n2c3cc(Oc4ccc5c6ccccc6n6ccnc6c5c4)ccc3c3c4sc5ccccc5c4ccc32)nc1.

What is the InChIKey of 3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?

The InChIKey is FLAUGBCVBDHWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4OS/c1-3-9-31-26(7-1)25-14-12-23(21-30(25)38-40-19-20-41(31)38)43-24-13-15-29-33(22-24)42(35-11-5-6-18-39-35)32-17-16-28-27-8-2-4-10-34(27)44-37(28)36(29)32/h1-22H.

What are the key properties of 3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?

3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 582.69 g/mol, XLogP of 10.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 140953707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).