1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine

C88H53N17OS — CID 141422689

About 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine

1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine (PubChem CID 141422689) has the molecular formula C88H53N17OS and a molecular weight of 1396.58 g/mol. Its IUPAC name is 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine.

Molecular Properties

• Compound Name: 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine
• PubChem CID: 141422689
• Molecular Formula: C88H53N17OS
• Molecular Weight: 1396.58 g/mol
• Exact Mass: 1395.43
• IUPAC Name: 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine
• SMILES: c1ccc2c(c1)Nc1c(cccc1C1=C(c3cccc4c3Nc3ccccc3S4)C(c3ncc4ccccc4n3)(c3cccc4nc5ccccc5nc34)C(c3ccc4ncccc4n3)(c3nc4ncccc4[nH]3)C(c3ncc4nccnc4n3)(c3cccc4ccccc34)C1c1nncc3ccccc13)O2
• InChI: InChI=1S/C88H53N17OS/c1-4-23-53-50(19-1)22-13-27-57(53)86(84-94-49-68-82(103-84)92-46-45-90-68)76(79-54-24-5-2-20-51(54)48-95-105-79)74(55-25-14-38-70-77(55)99-64-32-9-11-37-69(64)106-70)75(56-26-15-40-72-78(56)100-65-33-10-12-39-71(65)107-72)87(83-93-47-52-21-3-6-29-59(52)101-83,58-28-16-34-66-80(58)98-63-31-8-7-30-62(63)96-66)88(86,85-102-67-36-18-44-91-81(67)104-85)73-42-41-60-61(97-73)35-17-43-89-60/h1-49,76,99-100H,(H,91,102,104)
• InChIKey: MYIMEDKIRJKZDT-UHFFFAOYSA-N
• XLogP: 18.49
• TPSA: 229.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1396.58
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine?

The IUPAC name of 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine (CID 141422689) is 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine.

What is the SMILES notation for 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine?

The canonical SMILES for 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine is c1ccc2c(c1)Nc1c(cccc1C1=C(c3cccc4c3Nc3ccccc3S4)C(c3ncc4ccccc4n3)(c3cccc4nc5ccccc5nc34)C(c3ccc4ncccc4n3)(c3nc4ncccc4[nH]3)C(c3ncc4nccnc4n3)(c3cccc4ccccc34)C1c1nncc3ccccc13)O2.

What is the InChIKey of 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine?

The InChIKey is MYIMEDKIRJKZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H53N17OS/c1-4-23-53-50(19-1)22-13-27-57(53)86(84-94-49-68-82(103-84)92-46-45-90-68)76(79-54-24-5-2-20-51(54)48-95-105-79)74(55-25-14-38-70-77(55)99-64-32-9-11-37-69(64)106-70)75(56-26-15-40-72-78(56)100-65-33-10-12-39-71(65)107-72)87(83-93-47-52-21-3-6-29-59(52)101-83,58-28-16-34-66-80(58)98-63-31-8-7-30-62(63)96-66)88(86,85-102-67-36-18-44-91-81(67)104-85)73-42-41-60-61(97-73)35-17-43-89-60/h1-49,76,99-100H,(H,91,102,104).

What are the key properties of 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine?

1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine has a molecular weight of 1396.58 g/mol, XLogP of 18.49, 9 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)-5-naphthalen-1-yl-4-(1,5-naphthyridin-2-yl)-3-phenazin-1-yl-2-(10H-phenothiazin-1-yl)-6-phthalazin-1-yl-5-pteridin-2-yl-3-quinazolin-2-ylcyclohexen-1-yl]-10H-phenoxazine is sourced from PubChem (CID 141422689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).