9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole

C33H21BrN4 — CID 154696964

IUPAC9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole
SMILESBrc1cc(-c2cccnc2)cc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C33H21BrN4/c34-26-18-24(23-11-8-16-35-21-23)17-25(19-26)29-20-32(37-33(36-29)22-9-2-1-3-10-22)38-30-14-6-4-12-27(30)28-13-5-7-15-31(28)38/h1-21H
InChIKeyUZOWZNWPGOZKRX-UHFFFAOYSA-N
MW553.46 g/mol
LogP8.73
Rot. Bonds4

About 9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole

9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole (PubChem CID 154696964) has the molecular formula C33H21BrN4 and a molecular weight of 553.46 g/mol. Its IUPAC name is 9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole
PubChem CID154696964
Molecular FormulaC33H21BrN4
Molecular Weight553.46 g/mol
Exact Mass552.09
IUPAC Name9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole
SMILESBrc1cc(-c2cccnc2)cc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C33H21BrN4/c34-26-18-24(23-11-8-16-35-21-23)17-25(19-26)29-20-32(37-33(36-29)22-9-2-1-3-10-22)38-30-14-6-4-12-27(30)28-13-5-7-15-31(28)38/h1-21H
InChIKeyUZOWZNWPGOZKRX-UHFFFAOYSA-N
XLogP8.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.46
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-bromo-5-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 155195933
9-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155708582
4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine
CID 149414750
4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 150536017
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine
CID 155195925
9-[3-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)-5-pyridin-3-ylphenyl]carbazole
CID 154950092
2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155195987
2-(3-bromo-5-pyridin-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 155708586
9-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole
CID 155195850
9-[3-(6-carbazol-9-yl-2-phenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 139500408
9-[3-carbazol-9-yl-5-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]carbazole
CID 162774177

Frequently Asked Questions

What is the IUPAC name of 9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole?
The IUPAC name of 9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole (CID 154696964) is 9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole?
The canonical SMILES for 9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole is Brc1cc(-c2cccnc2)cc(-c2cc(-n3c4ccccc4c4ccccc43)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole?
The InChIKey is UZOWZNWPGOZKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21BrN4/c34-26-18-24(23-11-8-16-35-21-23)17-25(19-26)29-20-32(37-33(36-29)22-9-2-1-3-10-22)38-30-14-6-4-12-27(30)28-13-5-7-15-31(28)38/h1-21H.
What are the key properties of 9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole?
9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole has a molecular weight of 553.46 g/mol, XLogP of 8.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(3-bromo-5-pyridin-3-ylphenyl)-2-phenylpyrimidin-4-yl]carbazole is sourced from PubChem (CID 154696964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).