7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline

C67H42N4 — CID 156551745

About 7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline

7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline (PubChem CID 156551745) has the molecular formula C67H42N4 and a molecular weight of 903.10 g/mol. Its IUPAC name is 7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline.

Molecular Properties

• Compound Name: 7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline
• PubChem CID: 156551745
• Molecular Formula: C67H42N4
• Molecular Weight: 903.10 g/mol
• Exact Mass: 902.34
• IUPAC Name: 7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c7ccccc7n(-c7ccccc7)c56)cc4)cc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1
• InChI: InChI=1S/C67H42N4/c1-3-15-46(16-4-1)61-42-62(70-67(69-61)49-37-31-45(32-38-49)50-39-40-56-54-21-8-7-19-52(54)53-20-9-10-22-55(53)59(56)41-50)47-33-27-43(28-34-47)44-29-35-48(36-30-44)65-66-64(57-23-11-13-25-60(57)68-65)58-24-12-14-26-63(58)71(66)51-17-5-2-6-18-51/h1-42H
• InChIKey: XFIWXKFDXVVKFF-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.10
LogP ≤ 5	17.58
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 7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline?

The IUPAC name of 7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline (CID 156551745) is 7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline.

What is the SMILES notation for 7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline?

The canonical SMILES for 7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c7ccccc7n(-c7ccccc7)c56)cc4)cc3)nc(-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.

What is the InChIKey of 7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline?

The InChIKey is XFIWXKFDXVVKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N4/c1-3-15-46(16-4-1)61-42-62(70-67(69-61)49-37-31-45(32-38-49)50-39-40-56-54-21-8-7-19-52(54)53-20-9-10-22-55(53)59(56)41-50)47-33-27-43(28-34-47)44-29-35-48(36-30-44)65-66-64(57-23-11-13-25-60(57)68-65)58-24-12-14-26-63(58)71(66)51-17-5-2-6-18-51/h1-42H.

What are the key properties of 7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline?

7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline has a molecular weight of 903.10 g/mol, XLogP of 17.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-phenyl-6-[4-[4-[6-phenyl-2-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]indolo[2,3-c]quinoline is sourced from PubChem (CID 156551745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).