9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene

C70H50 — CID 140843551

About 9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene

9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene (PubChem CID 140843551) has the molecular formula C70H50 and a molecular weight of 891.17 g/mol. Its IUPAC name is 9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene.

Molecular Properties

• Compound Name: 9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene
• PubChem CID: 140843551
• Molecular Formula: C70H50
• Molecular Weight: 891.17 g/mol
• Exact Mass: 890.39
• IUPAC Name: 9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene
• SMILES: CCCC1(c2cccc(-c3ccccc3)c2)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5ccccc45)c4ccccc34)cc21
• InChI: InChI=1S/C70H50/c1-2-41-70(55-28-20-27-50(45-55)47-21-6-3-7-22-47)66-36-19-18-31-59(66)60-38-37-51(46-67(60)70)68-61-32-14-16-34-63(61)69(64-35-17-15-33-62(64)68)65-40-39-56(57-29-12-13-30-58(57)65)54-43-52(48-23-8-4-9-24-48)42-53(44-54)49-25-10-5-11-26-49/h3-40,42-46H,2,41H2,1H3
• InChIKey: XKHSPCRIOSZXJH-UHFFFAOYSA-N
• XLogP: 19.26
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.17
LogP ≤ 5	19.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene?

The IUPAC name of 9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene (CID 140843551) is 9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene.

What is the SMILES notation for 9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene?

The canonical SMILES for 9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene is CCCC1(c2cccc(-c3ccccc3)c2)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5ccccc45)c4ccccc34)cc21.

What is the InChIKey of 9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene?

The InChIKey is XKHSPCRIOSZXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50/c1-2-41-70(55-28-20-27-50(45-55)47-21-6-3-7-22-47)66-36-19-18-31-59(66)60-38-37-51(46-67(60)70)68-61-32-14-16-34-63(61)69(64-35-17-15-33-62(64)68)65-40-39-56(57-29-12-13-30-58(57)65)54-43-52(48-23-8-4-9-24-48)42-53(44-54)49-25-10-5-11-26-49/h3-40,42-46H,2,41H2,1H3.

What are the key properties of 9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene?

9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene has a molecular weight of 891.17 g/mol, XLogP of 19.26, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-10-[9-(3-phenylphenyl)-9-propylfluoren-2-yl]anthracene is sourced from PubChem (CID 140843551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).