9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline

C53H34N4 — CID 166568862

IUPAC9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccc(-c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nc(-c6ccccc6)n5)cc43)n2)cc1
InChIInChI=1S/C53H34N4/c1-4-14-35(15-5-1)45-33-47(37-16-6-2-7-17-37)54-46-31-28-36-24-25-40(32-44(36)52(45)46)49-34-48(55-53(56-49)39-18-8-3-9-19-39)38-26-29-41(30-27-38)57-50-22-12-10-20-42(50)43-21-11-13-23-51(43)57/h1-34H
InChIKeyIFVJTSBGNUWUBI-UHFFFAOYSA-N
MW726.88 g/mol
LogP13.61
Rot. Bonds6

About 9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline

9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline (PubChem CID 166568862) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline.

Molecular Properties

Compound Name9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline
PubChem CID166568862
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccc(-c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nc(-c6ccccc6)n5)cc43)n2)cc1
InChIInChI=1S/C53H34N4/c1-4-14-35(15-5-1)45-33-47(37-16-6-2-7-17-37)54-46-31-28-36-24-25-40(32-44(36)52(45)46)49-34-48(55-53(56-49)39-18-8-3-9-19-39)38-26-29-41(30-27-38)57-50-22-12-10-20-42(50)43-21-11-13-23-51(43)57/h1-34H
InChIKeyIFVJTSBGNUWUBI-UHFFFAOYSA-N
XLogP13.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline
CID 138643776
1,3-diphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[f]quinoline
CID 166569146
3-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinoline
CID 138643727
3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline
CID 138643715
1-phenyl-3-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185311
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71287046
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237400
3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline
CID 138643729
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 58971465
9-[4-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;9-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158730760
1-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[f]quinoline
CID 146185499

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline?
The IUPAC name of 9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline (CID 166568862) is 9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline.
What is the SMILES notation for 9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline?
The canonical SMILES for 9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline is c1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccc(-c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)nc(-c6ccccc6)n5)cc43)n2)cc1.
What is the InChIKey of 9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline?
The InChIKey is IFVJTSBGNUWUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-4-14-35(15-5-1)45-33-47(37-16-6-2-7-17-37)54-46-31-28-36-24-25-40(32-44(36)52(45)46)49-34-48(55-53(56-49)39-18-8-3-9-19-39)38-26-29-41(30-27-38)57-50-22-12-10-20-42(50)43-21-11-13-23-51(43)57/h1-34H.
What are the key properties of 9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline?
9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline has a molecular weight of 726.88 g/mol, XLogP of 13.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3-diphenylbenzo[f]quinoline is sourced from PubChem (CID 166568862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).