4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole

C70H45N5 — CID 138606200

About 4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole

4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole (PubChem CID 138606200) has the molecular formula C70H45N5 and a molecular weight of 956.17 g/mol. Its IUPAC name is 4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole.

Molecular Properties

• Compound Name: 4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole
• PubChem CID: 138606200
• Molecular Formula: C70H45N5
• Molecular Weight: 956.17 g/mol
• Exact Mass: 955.37
• IUPAC Name: 4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)cc(-c3c(-c4ccccc4)cccc3-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)cccc43)n2)cc1
• InChI: InChI=1S/C70H45N5/c1-4-23-46(24-5-1)49-34-21-42-64(74-63-41-19-14-33-56(63)68-65(43-22-44-66(68)74)73-59-37-15-10-29-51(59)52-30-11-16-38-60(52)73)67(49)58-45-57(71-70(72-58)48-27-8-3-9-28-48)55-36-20-35-50(47-25-6-2-7-26-47)69(55)75-61-39-17-12-31-53(61)54-32-13-18-40-62(54)75/h1-45H
• InChIKey: ALKZKEIFVPHFCN-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 40.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.17
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole?

The IUPAC name of 4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole (CID 138606200) is 4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole.

What is the SMILES notation for 4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole?

The canonical SMILES for 4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole is c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)cc(-c3c(-c4ccccc4)cccc3-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)cccc43)n2)cc1.

What is the InChIKey of 4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole?

The InChIKey is ALKZKEIFVPHFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45N5/c1-4-23-46(24-5-1)49-34-21-42-64(74-63-41-19-14-33-56(63)68-65(43-22-44-66(68)74)73-59-37-15-10-29-51(59)52-30-11-16-38-60(52)73)67(49)58-45-57(71-70(72-58)48-27-8-3-9-28-48)55-36-20-35-50(47-25-6-2-7-26-47)69(55)75-61-39-17-12-31-53(61)54-32-13-18-40-62(54)75/h1-45H.

What are the key properties of 4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole?

4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole has a molecular weight of 956.17 g/mol, XLogP of 18.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole is sourced from PubChem (CID 138606200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).