9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole

C62H39N3 — CID 139500404

IUPAC9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccccc6)n5)c4)c3c2)cc1
InChIInChI=1S/C62H39N3/c1-3-15-40(16-4-1)45-30-32-56-55-25-13-14-26-60(55)65(61(56)38-45)49-35-47(44-29-31-54-52-23-10-9-21-50(52)51-22-11-12-24-53(51)57(54)37-44)34-48(36-49)59-39-58(63-62(64-59)42-18-5-2-6-19-42)46-28-27-41-17-7-8-20-43(41)33-46/h1-39H
InChIKeyWAUALKBGCJHUHE-UHFFFAOYSA-N
MW826.02 g/mol
LogP16.52
Rot. Bonds6

About 9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole

9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole (PubChem CID 139500404) has the molecular formula C62H39N3 and a molecular weight of 826.02 g/mol. Its IUPAC name is 9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
PubChem CID139500404
Molecular FormulaC62H39N3
Molecular Weight826.02 g/mol
Exact Mass825.31
IUPAC Name9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccccc6)n5)c4)c3c2)cc1
InChIInChI=1S/C62H39N3/c1-3-15-40(16-4-1)45-30-32-56-55-25-13-14-26-60(55)65(61(56)38-45)49-35-47(44-29-31-54-52-23-10-9-21-50(52)51-22-11-12-24-53(51)57(54)37-44)34-48(36-49)59-39-58(63-62(64-59)42-18-5-2-6-19-42)46-28-27-41-17-7-8-20-43(41)33-46/h1-39H
InChIKeyWAUALKBGCJHUHE-UHFFFAOYSA-N
XLogP16.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.02
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole;9-[3-(6-phenanthren-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 162102961
2-phenyl-9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-triphenylen-2-ylphenyl]carbazole
CID 139500401
9-[3-(2,6-diphenylpyrimidin-4-yl)-5-naphthalen-2-ylphenyl]carbazole
CID 169016925
9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 139500408
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 71286955
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 71287038
2-(3,5-diphenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135144091
9-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenanthren-9-ylphenyl]-2-phenylcarbazole
CID 139500861
9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
9-[3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]-5-phenylphenyl]-3-carbazol-9-ylcarbazole;3-carbazol-9-yl-9-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]carbazole;3-carbazol-9-yl-9-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)-5-phenylphenyl]carbazole;3-carbazol-9-yl-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 159279604
9-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-5-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]-3-naphthalen-2-ylcarbazole
CID 58527038

Frequently Asked Questions

What is the IUPAC name of 9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?
The IUPAC name of 9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole (CID 139500404) is 9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole.
What is the SMILES notation for 9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?
The canonical SMILES for 9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccccc6)n5)c4)c3c2)cc1.
What is the InChIKey of 9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?
The InChIKey is WAUALKBGCJHUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3/c1-3-15-40(16-4-1)45-30-32-56-55-25-13-14-26-60(55)65(61(56)38-45)49-35-47(44-29-31-54-52-23-10-9-21-50(52)51-22-11-12-24-53(51)57(54)37-44)34-48(36-49)59-39-58(63-62(64-59)42-18-5-2-6-19-42)46-28-27-41-17-7-8-20-43(41)33-46/h1-39H.
What are the key properties of 9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole?
9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole has a molecular weight of 826.02 g/mol, XLogP of 16.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole is sourced from PubChem (CID 139500404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).