2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

C56H36N4 — CID 58511258

IUPAC2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C56H36N4/c1-3-15-39(16-4-1)56-57-50(36-51(58-56)45-23-13-17-37-14-7-8-20-44(37)45)38-26-30-43(31-27-38)59-53-25-12-10-22-47(53)49-34-40(29-33-54(49)59)41-28-32-48-46-21-9-11-24-52(46)60(55(48)35-41)42-18-5-2-6-19-42/h1-36H
InChIKeyHVAWQIFQTQHCSW-UHFFFAOYSA-N
MW764.93 g/mol
LogP14.49
Rot. Bonds6

About 2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 58511258) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID58511258
Molecular FormulaC56H36N4
Molecular Weight764.93 g/mol
Exact Mass764.29
IUPAC Name2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C56H36N4/c1-3-15-39(16-4-1)56-57-50(36-51(58-56)45-23-13-17-37-14-7-8-20-44(37)45)38-26-30-43(31-27-38)59-53-25-12-10-22-47(53)49-34-40(29-33-54(49)59)41-28-32-48-46-21-9-11-24-52(46)60(55(48)35-41)42-18-5-2-6-19-42/h1-36H
InChIKeyHVAWQIFQTQHCSW-UHFFFAOYSA-N
XLogP14.49
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287046
9-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 58971485
3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 158761140
3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287137
3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole
CID 167237857
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 170096012
2-[9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160933001
2-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159883795
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
2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71286952
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 161155963
3-[9-[4-[2,6-bis[3-[2-[9-phenyl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-2-yl]-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 126630464

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 58511258) is 2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)cc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is HVAWQIFQTQHCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-3-15-39(16-4-1)56-57-50(36-51(58-56)45-23-13-17-37-14-7-8-20-44(37)45)38-26-30-43(31-27-38)59-53-25-12-10-22-47(53)49-34-40(29-33-54(49)59)41-28-32-48-46-21-9-11-24-52(46)60(55(48)35-41)42-18-5-2-6-19-42/h1-36H.
What are the key properties of 2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?
2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 764.93 g/mol, XLogP of 14.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 58511258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).