2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]

C55H34N2 — CID 147563141

About 2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]

2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine] (PubChem CID 147563141) has the molecular formula C55H34N2 and a molecular weight of 722.89 g/mol. Its IUPAC name is 2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine].

Molecular Properties

• Compound Name: 2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]
• PubChem CID: 147563141
• Molecular Formula: C55H34N2
• Molecular Weight: 722.89 g/mol
• Exact Mass: 722.27
• IUPAC Name: 2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]
• SMILES: c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccncc75)c5ccccc5-6)cn4)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C55H34N2/c1-2-12-35(13-3-1)36-22-24-37(25-23-36)53-44-16-4-6-18-46(44)54(47-19-7-5-17-45(47)53)52-29-27-39(33-57-52)38-26-28-42-40-14-8-10-20-48(40)55(50(42)32-38)49-21-11-9-15-41(49)43-30-31-56-34-51(43)55/h1-34H
• InChIKey: FTANDSQNEUYTRC-UHFFFAOYSA-N
• XLogP: 13.79
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.89
LogP ≤ 5	13.79
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-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]?

The IUPAC name of 2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine] (CID 147563141) is 2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine].

What is the SMILES notation for 2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]?

The canonical SMILES for 2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine] is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccncc75)c5ccccc5-6)cn4)c4ccccc34)cc2)cc1.

What is the InChIKey of 2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]?

The InChIKey is FTANDSQNEUYTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2/c1-2-12-35(13-3-1)36-22-24-37(25-23-36)53-44-16-4-6-18-46(44)54(47-19-7-5-17-45(47)53)52-29-27-39(33-57-52)38-26-28-42-40-14-8-10-20-48(40)55(50(42)32-38)49-21-11-9-15-41(49)43-30-31-56-34-51(43)55/h1-34H.

What are the key properties of 2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine]?

2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine] has a molecular weight of 722.89 g/mol, XLogP of 13.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[10-(4-phenylphenyl)anthracen-9-yl]-3-pyridinyl]spiro[fluorene-9,9'-indeno[2,1-c]pyridine] is sourced from PubChem (CID 147563141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).