butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole

C52H45N3 — CID 144595919

About butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole

butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole (PubChem CID 144595919) has the molecular formula C52H45N3 and a molecular weight of 711.95 g/mol. Its IUPAC name is butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole
• PubChem CID: 144595919
• Molecular Formula: C52H45N3
• Molecular Weight: 711.95 g/mol
• Exact Mass: 711.36
• IUPAC Name: butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole
• SMILES: CCCC.Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5c(c6ccccc64)CCc4c-5n(-c5ccccc5)c5ccccc45)cc3)n2)cc1
• InChI: InChI=1S/C48H35N3.C4H10/c1-32-20-22-34(23-21-32)43-30-36(33-12-4-2-5-13-33)31-44(49-43)35-24-26-38(27-25-35)51-46-19-11-9-17-40(46)42-29-28-41-39-16-8-10-18-45(39)50(47(41)48(42)51)37-14-6-3-7-15-37;1-3-4-2/h2-27,30-31H,28-29H2,1H3;3-4H2,1-2H3
• InChIKey: RWGYVXSUZQQRQI-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.95
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indole_3yl_alk_B(1)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole?

The IUPAC name of butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole (CID 144595919) is butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole.

What is the SMILES notation for butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole?

The canonical SMILES for butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole is CCCC.Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5c(c6ccccc64)CCc4c-5n(-c5ccccc5)c5ccccc45)cc3)n2)cc1.

What is the InChIKey of butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole?

The InChIKey is RWGYVXSUZQQRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3.C4H10/c1-32-20-22-34(23-21-32)43-30-36(33-12-4-2-5-13-33)31-44(49-43)35-24-26-38(27-25-35)51-46-19-11-9-17-40(46)42-29-28-41-39-16-8-10-18-45(39)50(47(41)48(42)51)37-14-6-3-7-15-37;1-3-4-2/h2-27,30-31H,28-29H2,1H3;3-4H2,1-2H3.

What are the key properties of butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole?

butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole has a molecular weight of 711.95 g/mol, XLogP of 13.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for butane;12-[4-[6-(4-methylphenyl)-4-phenyl-2-pyridinyl]phenyl]-11-phenyl-5,6-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 144595919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).