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

C58H38N4 — CID 138606135

IUPAC9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)cc(-c3c(-c4ccccc4)cccc3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C58H38N4/c1-4-20-39(21-5-1)42-30-19-37-55(61-51-33-14-10-26-44(51)45-27-11-15-34-52(45)61)56(42)50-38-49(59-58(60-50)41-24-8-3-9-25-41)48-32-18-31-43(40-22-6-2-7-23-40)57(48)62-53-35-16-12-28-46(53)47-29-13-17-36-54(47)62/h1-38H
InChIKeyZGKODJNWTIIBTH-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.01
Rot. Bonds7

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

9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole (PubChem CID 138606135) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole
PubChem CID138606135
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3-n3c4ccccc4c4ccccc43)cc(-c3c(-c4ccccc4)cccc3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C58H38N4/c1-4-20-39(21-5-1)42-30-19-37-55(61-51-33-14-10-26-44(51)45-27-11-15-34-52(45)61)56(42)50-38-49(59-58(60-50)41-24-8-3-9-25-41)48-32-18-31-43(40-22-6-2-7-23-40)57(48)62-53-35-16-12-28-46(53)47-29-13-17-36-54(47)62/h1-38H
InChIKeyZGKODJNWTIIBTH-UHFFFAOYSA-N
XLogP15.01
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-carbazol-9-yl-9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole
CID 138606200
9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401452
9-[2-[6-[4-(9H-fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 158403329
9-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 176837753
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-diphenylphenyl]carbazole
CID 176765501
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 155462551
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 167032295
5-(2,6-diphenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 168835045
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155462556
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 155463156
3-carbazol-9-yl-9-[2-[4-(2-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
CID 138606121
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 170111581

Frequently Asked Questions

What is the IUPAC name of 9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole?
The IUPAC name of 9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole (CID 138606135) is 9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole.
What is the SMILES notation for 9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole?
The canonical SMILES for 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-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole?
The InChIKey is ZGKODJNWTIIBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-4-20-39(21-5-1)42-30-19-37-55(61-51-33-14-10-26-44(51)45-27-11-15-34-52(45)61)56(42)50-38-49(59-58(60-50)41-24-8-3-9-25-41)48-32-18-31-43(40-22-6-2-7-23-40)57(48)62-53-35-16-12-28-46(53)47-29-13-17-36-54(47)62/h1-38H.
What are the key properties of 9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole?
9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole has a molecular weight of 790.97 g/mol, XLogP of 15.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[6-(2-carbazol-9-yl-3-phenylphenyl)-2-phenylpyrimidin-4-yl]-3-phenylphenyl]carbazole is sourced from PubChem (CID 138606135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).