12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole

C48H31N3 — CID 118041112

About 12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole

12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole (PubChem CID 118041112) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole.

Molecular Properties

• Compound Name: 12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole
• PubChem CID: 118041112
• Molecular Formula: C48H31N3
• Molecular Weight: 649.80 g/mol
• Exact Mass: 649.25
• IUPAC Name: 12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole
• SMILES: c1ccc(C2c3ccccc3-c3c2ccc2c4ccccc4n(-c4cccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)n4)c32)cc1
• InChI: InChI=1S/C48H31N3/c1-2-14-31(15-3-1)46-37-21-4-5-22-38(37)47-40(46)29-28-39-36-20-8-11-26-44(36)51(48(39)47)45-27-13-23-41(49-45)32-16-12-17-33(30-32)50-42-24-9-6-18-34(42)35-19-7-10-25-43(35)50/h1-30,46H
• InChIKey: SYJPVKUAVWXEJG-UHFFFAOYSA-N
• XLogP: 12.10
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.80
LogP ≤ 5	12.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole?

The IUPAC name of 12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole (CID 118041112) is 12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole.

What is the SMILES notation for 12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole?

The canonical SMILES for 12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole is c1ccc(C2c3ccccc3-c3c2ccc2c4ccccc4n(-c4cccc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)n4)c32)cc1.

What is the InChIKey of 12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole?

The InChIKey is SYJPVKUAVWXEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-2-14-31(15-3-1)46-37-21-4-5-22-38(37)47-40(46)29-28-39-36-20-8-11-26-44(36)51(48(39)47)45-27-13-23-41(49-45)32-16-12-17-33(30-32)50-42-24-9-6-18-34(42)35-19-7-10-25-43(35)50/h1-30,46H.

What are the key properties of 12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole?

12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole has a molecular weight of 649.80 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole is sourced from PubChem (CID 118041112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).