9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole

C60H38N4 — CID 90209075

IUPAC9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole
SMILESc1cc(-c2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3c2)cc(-c2nc(-c3cccc4ccccc34)cc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C60H38N4/c1-3-23-46-39(15-1)17-12-28-48(46)54-38-55(49-29-13-18-40-16-2-4-24-47(40)49)62-60(61-54)43-20-11-19-41(35-43)42-33-34-53-52-27-7-10-32-58(52)64(59(53)36-42)45-22-14-21-44(37-45)63-56-30-8-5-25-50(56)51-26-6-9-31-57(51)63/h1-38H
InChIKeyWTFYMZIZIJQLAA-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.65
Rot. Bonds6

About 9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole

9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 90209075) has the molecular formula C60H38N4 and a molecular weight of 814.99 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole
PubChem CID90209075
Molecular FormulaC60H38N4
Molecular Weight814.99 g/mol
Exact Mass814.31
IUPAC Name9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole
SMILESc1cc(-c2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3c2)cc(-c2nc(-c3cccc4ccccc34)cc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C60H38N4/c1-3-23-46-39(15-1)17-12-28-48(46)54-38-55(49-29-13-18-40-16-2-4-24-47(40)49)62-60(61-54)43-20-11-19-41(35-43)42-33-34-53-52-27-7-10-32-58(52)64(59(53)36-42)45-22-14-21-44(37-45)63-56-30-8-5-25-50(56)51-26-6-9-31-57(51)63/h1-38H
InChIKeyWTFYMZIZIJQLAA-UHFFFAOYSA-N
XLogP15.65
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-carbazol-9-ylphenyl)-2-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 90209079
2-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209077
2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71286952
2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511258
12-[4-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[2,3-a]carbazole
CID 155240392
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole;2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole
CID 161259366
9-[4-[6-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)naphthalen-2-yl]phenyl]carbazole
CID 58971555
3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole
CID 167237857
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287119
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118149449
2-[3-[4,6-bis(4-tert-butylphenyl)pyrimidin-2-yl]phenyl]-9-(3-carbazol-9-ylphenyl)carbazole
CID 90209074
2-phenyl-9-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539117

Frequently Asked Questions

What is the IUPAC name of 9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole (CID 90209075) is 9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole is c1cc(-c2ccc3c4ccccc4n(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3c2)cc(-c2nc(-c3cccc4ccccc34)cc(-c3cccc4ccccc34)n2)c1.
What is the InChIKey of 9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole?
The InChIKey is WTFYMZIZIJQLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4/c1-3-23-46-39(15-1)17-12-28-48(46)54-38-55(49-29-13-18-40-16-2-4-24-47(40)49)62-60(61-54)43-20-11-19-41(35-43)42-33-34-53-52-27-7-10-32-58(52)64(59(53)36-42)45-22-14-21-44(37-45)63-56-30-8-5-25-50(56)51-26-6-9-31-57(51)63/h1-38H.
What are the key properties of 9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole?
9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole has a molecular weight of 814.99 g/mol, XLogP of 15.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-carbazol-9-ylphenyl)-2-[3-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 90209075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).