10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine

C79H59N5S — CID 165148988

About 10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine

10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine (PubChem CID 165148988) has the molecular formula C79H59N5S and a molecular weight of 1110.44 g/mol. Its IUPAC name is 10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine
• PubChem CID: 165148988
• Molecular Formula: C79H59N5S
• Molecular Weight: 1110.44 g/mol
• Exact Mass: 1109.45
• IUPAC Name: 10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine
• SMILES: Cc1nc2c3ccc(CCc4cc(CCc5ccc6c(c5)c5ccccc5n5c(C)c(C)nc65)cc(-c5ccccc5-c5ccc(-c6ccccn6)cc5-c5ccc6c(c5)sc5cc(-c7ccccc7)ccc56)c4)cc3c3ccccc3n2c1C
• InChI: InChI=1S/C79H59N5S/c1-48-50(3)83-74-23-12-10-20-64(74)71-43-52(29-34-68(71)78(83)81-48)25-27-54-40-55(28-26-53-30-35-69-72(44-53)65-21-11-13-24-75(65)84-51(4)49(2)82-79(69)84)42-60(41-54)61-18-8-9-19-62(61)63-36-33-59(73-22-14-15-39-80-73)45-70(63)58-32-38-67-66-37-31-57(56-16-6-5-7-17-56)46-76(66)85-77(67)47-58/h5-24,29-47H,25-28H2,1-4H3
• InChIKey: UOMHDHXHQZUHDR-UHFFFAOYSA-N
• XLogP: 20.50
• TPSA: 47.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1110.44
LogP ≤ 5	20.50
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 10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine?

The IUPAC name of 10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine (CID 165148988) is 10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine.

What is the SMILES notation for 10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine?

The canonical SMILES for 10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine is Cc1nc2c3ccc(CCc4cc(CCc5ccc6c(c5)c5ccccc5n5c(C)c(C)nc65)cc(-c5ccccc5-c5ccc(-c6ccccn6)cc5-c5ccc6c(c5)sc5cc(-c7ccccc7)ccc56)c4)cc3c3ccccc3n2c1C.

What is the InChIKey of 10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine?

The InChIKey is UOMHDHXHQZUHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H59N5S/c1-48-50(3)83-74-23-12-10-20-64(74)71-43-52(29-34-68(71)78(83)81-48)25-27-54-40-55(28-26-53-30-35-69-72(44-53)65-21-11-13-24-75(65)84-51(4)49(2)82-79(69)84)42-60(41-54)61-18-8-9-19-62(61)63-36-33-59(73-22-14-15-39-80-73)45-70(63)58-32-38-67-66-37-31-57(56-16-6-5-7-17-56)46-76(66)85-77(67)47-58/h5-24,29-47H,25-28H2,1-4H3.

What are the key properties of 10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine?

10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine has a molecular weight of 1110.44 g/mol, XLogP of 20.50, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)ethyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylphenyl]phenyl]phenyl]ethyl]-2,3-dimethylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 165148988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).