10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-5-phenyl-12-pyridin-2-ylindolo[3,2-c]carbazole

C46H28N4S — CID 140953130

About 10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-5-phenyl-12-pyridin-2-ylindolo[3,2-c]carbazole

10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-5-phenyl-12-pyridin-2-ylindolo[3,2-c]carbazole (PubChem CID 140953130) has the molecular formula C46H28N4S and a molecular weight of 668.83 g/mol. Its IUPAC name is 10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-5-phenyl-12-pyridin-2-ylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-5-phenyl-12-pyridin-2-ylindolo[3,2-c]carbazole
• PubChem CID: 140953130
• Molecular Formula: C46H28N4S
• Molecular Weight: 668.83 g/mol
• Exact Mass: 668.20
• IUPAC Name: 10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-5-phenyl-12-pyridin-2-ylindolo[3,2-c]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c2ccc2c4ccc(Sc5ccc6c7ccccc7c7cccnc7c6c5)cc4n(-c4ccccn4)c23)cc1
• InChI: InChI=1S/C46H28N4S/c1-2-11-29(12-3-1)49-40-17-7-6-15-38(40)44-41(49)24-23-37-35-22-20-31(28-42(35)50(46(37)44)43-18-8-9-25-47-43)51-30-19-21-34-32-13-4-5-14-33(32)36-16-10-26-48-45(36)39(34)27-30/h1-28H
• InChIKey: RHHOVWRGWFYVCY-UHFFFAOYSA-N
• XLogP: 12.28
• TPSA: 35.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.83
LogP ≤ 5	12.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-5-phenyl-12-pyridin-2-ylindolo[3,2-c]carbazole?

The IUPAC name of 10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-5-phenyl-12-pyridin-2-ylindolo[3,2-c]carbazole (CID 140953130) is 10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-5-phenyl-12-pyridin-2-ylindolo[3,2-c]carbazole.

What is the SMILES notation for 10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-5-phenyl-12-pyridin-2-ylindolo[3,2-c]carbazole?

The canonical SMILES for 10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-5-phenyl-12-pyridin-2-ylindolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3c2ccc2c4ccc(Sc5ccc6c7ccccc7c7cccnc7c6c5)cc4n(-c4ccccn4)c23)cc1.

What is the InChIKey of 10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-5-phenyl-12-pyridin-2-ylindolo[3,2-c]carbazole?

The InChIKey is RHHOVWRGWFYVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4S/c1-2-11-29(12-3-1)49-40-17-7-6-15-38(40)44-41(49)24-23-37-35-22-20-31(28-42(35)50(46(37)44)43-18-8-9-25-47-43)51-30-19-21-34-32-13-4-5-14-33(32)36-16-10-26-48-45(36)39(34)27-30/h1-28H.

What are the key properties of 10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-5-phenyl-12-pyridin-2-ylindolo[3,2-c]carbazole?

10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-5-phenyl-12-pyridin-2-ylindolo[3,2-c]carbazole has a molecular weight of 668.83 g/mol, XLogP of 12.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-5-phenyl-12-pyridin-2-ylindolo[3,2-c]carbazole is sourced from PubChem (CID 140953130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).