8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline

C87H51N5 — CID 137458976

About 8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline

8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline (PubChem CID 137458976) has the molecular formula C87H51N5 and a molecular weight of 1166.40 g/mol. Its IUPAC name is 8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline.

Molecular Properties

• Compound Name: 8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline
• PubChem CID: 137458976
• Molecular Formula: C87H51N5
• Molecular Weight: 1166.40 g/mol
• Exact Mass: 1165.41
• IUPAC Name: 8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline
• SMILES: c1ccc(-c2ccc3c4ccc(-c5ccnc6c(-c7ccc8c9ccc(-c%10cccc%11cccnc%10%11)cc9c9ccc(-c%10cc(-c%11ccccn%11)cc%11c%12ccccc%12c%12cc(-c%13ccccn%13)ccc%12c%10%11)cc9c8c7)cccc56)cc4c4ccccc4c3c2)nc1
• InChI: InChI=1S/C87H51N5/c1-2-17-64-63(16-1)75-44-53(26-32-67(75)69-36-30-57(48-77(64)69)82-23-5-8-39-88-82)60-38-43-92-87-62(21-12-22-73(60)87)55-28-34-70-68-33-27-54(61-20-11-14-52-15-13-42-91-86(52)61)45-76(68)71-35-29-56(47-80(71)79(70)46-55)74-50-59(84-25-7-10-41-90-84)51-81-66-19-4-3-18-65(66)78-49-58(31-37-72(78)85(74)81)83-24-6-9-40-89-83/h1-51H
• InChIKey: RVCICYRXUSLVBF-UHFFFAOYSA-N
• XLogP: 23.02
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1166.40
LogP ≤ 5	23.02
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 8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline?

The IUPAC name of 8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline (CID 137458976) is 8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline.

What is the SMILES notation for 8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline?

The canonical SMILES for 8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline is c1ccc(-c2ccc3c4ccc(-c5ccnc6c(-c7ccc8c9ccc(-c%10cccc%11cccnc%10%11)cc9c9ccc(-c%10cc(-c%11ccccn%11)cc%11c%12ccccc%12c%12cc(-c%13ccccn%13)ccc%12c%10%11)cc9c8c7)cccc56)cc4c4ccccc4c3c2)nc1.

What is the InChIKey of 8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline?

The InChIKey is RVCICYRXUSLVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H51N5/c1-2-17-64-63(16-1)75-44-53(26-32-67(75)69-36-30-57(48-77(64)69)82-23-5-8-39-88-82)60-38-43-92-87-62(21-12-22-73(60)87)55-28-34-70-68-33-27-54(61-20-11-14-52-15-13-42-91-86(52)61)45-76(68)71-35-29-56(47-80(71)79(70)46-55)74-50-59(84-25-7-10-41-90-84)51-81-66-19-4-3-18-65(66)78-49-58(31-37-72(78)85(74)81)83-24-6-9-40-89-83/h1-51H.

What are the key properties of 8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline?

8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline has a molecular weight of 1166.40 g/mol, XLogP of 23.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[11-(3,10-dipyridin-2-yltriphenylen-1-yl)-7-quinolin-8-yltriphenylen-2-yl]-4-(7-pyridin-2-yltriphenylen-2-yl)quinoline is sourced from PubChem (CID 137458976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).