2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine

C67H52N4 — CID 176729035

About 2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine

2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine (PubChem CID 176729035) has the molecular formula C67H52N4 and a molecular weight of 913.18 g/mol. Its IUPAC name is 2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine
• PubChem CID: 176729035
• Molecular Formula: C67H52N4
• Molecular Weight: 913.18 g/mol
• Exact Mass: 912.42
• IUPAC Name: 2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine
• SMILES: Cc1nc2c3ccc(CCc4cc(CCc5ccc(-c6ccccn6)cc5)cc(-c5ccccc5-c5ccc(-c6cc(-c7ccc(-c8ccccc8)cc7)ccn6)cc5)c4)cc3c3ccccc3n2c1C
• InChI: InChI=1S/C67H52N4/c1-45-46(2)71-66-18-9-8-16-61(66)63-43-48(25-36-62(63)67(71)70-45)20-22-50-40-49(21-19-47-23-26-55(27-24-47)64-17-10-11-38-68-64)41-58(42-50)60-15-7-6-14-59(60)54-32-34-56(35-33-54)65-44-57(37-39-69-65)53-30-28-52(29-31-53)51-12-4-3-5-13-51/h3-18,23-44H,19-22H2,1-2H3
• InChIKey: OWGPQKMIDQJWEK-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 43.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.18
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine?

The IUPAC name of 2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine (CID 176729035) is 2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine.

What is the SMILES notation for 2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine?

The canonical SMILES for 2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine is Cc1nc2c3ccc(CCc4cc(CCc5ccc(-c6ccccn6)cc5)cc(-c5ccccc5-c5ccc(-c6cc(-c7ccc(-c8ccccc8)cc7)ccn6)cc5)c4)cc3c3ccccc3n2c1C.

What is the InChIKey of 2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine?

The InChIKey is OWGPQKMIDQJWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H52N4/c1-45-46(2)71-66-18-9-8-16-61(66)63-43-48(25-36-62(63)67(71)70-45)20-22-50-40-49(21-19-47-23-26-55(27-24-47)64-17-10-11-38-68-64)41-58(42-50)60-15-7-6-14-59(60)54-32-34-56(35-33-54)65-44-57(37-39-69-65)53-30-28-52(29-31-53)51-12-4-3-5-13-51/h3-18,23-44H,19-22H2,1-2H3.

What are the key properties of 2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine?

2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine has a molecular weight of 913.18 g/mol, XLogP of 16.62, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 176729035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).