2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine

C74H48N2 — CID 90361787

About 2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine

2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine (PubChem CID 90361787) has the molecular formula C74H48N2 and a molecular weight of 965.21 g/mol. Its IUPAC name is 2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine
• PubChem CID: 90361787
• Molecular Formula: C74H48N2
• Molecular Weight: 965.21 g/mol
• Exact Mass: 964.38
• IUPAC Name: 2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cc(-c6ccc(-c7ccccn7)cn6)ccc45)cc32)cc1
• InChI: InChI=1S/C74H48N2/c1-5-21-53(22-6-1)73(54-23-7-2-8-24-54)65-33-17-15-29-57(65)59-40-37-50(46-67(59)73)71-61-31-13-14-32-62(61)72(64-45-49(36-42-63(64)71)70-43-39-52(48-76-70)69-35-19-20-44-75-69)51-38-41-60-58-30-16-18-34-66(58)74(68(60)47-51,55-25-9-3-10-26-55)56-27-11-4-12-28-56/h1-48H
• InChIKey: WDDHPKBWWRBBJY-UHFFFAOYSA-N
• XLogP: 18.18
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.21
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine?

The IUPAC name of 2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine (CID 90361787) is 2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine.

What is the SMILES notation for 2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine?

The canonical SMILES for 2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5cc(-c6ccc(-c7ccccn7)cn6)ccc45)cc32)cc1.

What is the InChIKey of 2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine?

The InChIKey is WDDHPKBWWRBBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2/c1-5-21-53(22-6-1)73(54-23-7-2-8-24-54)65-33-17-15-29-57(65)59-40-37-50(46-67(59)73)71-61-31-13-14-32-62(61)72(64-45-49(36-42-63(64)71)70-43-39-52(48-76-70)69-35-19-20-44-75-69)51-38-41-60-58-30-16-18-34-66(58)74(68(60)47-51,55-25-9-3-10-26-55)56-27-11-4-12-28-56/h1-48H.

What are the key properties of 2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine?

2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine has a molecular weight of 965.21 g/mol, XLogP of 18.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine is sourced from PubChem (CID 90361787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).