9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole

C40H28N4 — CID 121422907

IUPAC9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESCc1ccccc1-c1nc(-c2ccc(-c3cccnc3)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1
InChIInChI=1S/C40H28N4/c1-27-9-2-3-11-33(27)40-42-36(29-18-16-28(17-19-29)31-10-8-24-41-26-31)25-37(43-40)30-20-22-32(23-21-30)44-38-14-6-4-12-34(38)35-13-5-7-15-39(35)44/h2-26H,1H3
InChIKeyCJOKLXDUJLSKCY-UHFFFAOYSA-N
MW564.69 g/mol
LogP9.95
Rot. Bonds5

About 9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole

9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (PubChem CID 121422907) has the molecular formula C40H28N4 and a molecular weight of 564.69 g/mol. Its IUPAC name is 9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
PubChem CID121422907
Molecular FormulaC40H28N4
Molecular Weight564.69 g/mol
Exact Mass564.23
IUPAC Name9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESCc1ccccc1-c1nc(-c2ccc(-c3cccnc3)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1
InChIInChI=1S/C40H28N4/c1-27-9-2-3-11-33(27)40-42-36(29-18-16-28(17-19-29)31-10-8-24-41-26-31)25-37(43-40)30-20-22-32(23-21-30)44-38-14-6-4-12-34(38)35-13-5-7-15-39(35)44/h2-26H,1H3
InChIKeyCJOKLXDUJLSKCY-UHFFFAOYSA-N
XLogP9.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-carbazol-9-yl-9-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 126730487
3-carbazol-9-yl-9-[4-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-[2-(4-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158213492
5-[4-(4-naphthalen-1-yl-6-pyridin-3-yl-2-pyridinyl)phenyl]pyrido[4,3-b]indole
CID 59325982
9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[2,3-b]indole
CID 121422859
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 121422970
9-[4-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
CID 126730583
9-(2,6-dipyridin-3-yl-4-pyridinyl)carbazole
CID 135264911
9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-3-methylphenyl]-3-carbazol-9-ylcarbazole
CID 126730446
7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 121422958
9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2-methylphenyl]-3,6-di(carbazol-9-yl)carbazole
CID 126729982
8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole
CID 135252602

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (CID 121422907) is 9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is Cc1ccccc1-c1nc(-c2ccc(-c3cccnc3)cc2)cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1.
What is the InChIKey of 9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The InChIKey is CJOKLXDUJLSKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4/c1-27-9-2-3-11-33(27)40-42-36(29-18-16-28(17-19-29)31-10-8-24-41-26-31)25-37(43-40)30-20-22-32(23-21-30)44-38-14-6-4-12-34(38)35-13-5-7-15-39(35)44/h2-26H,1H3.
What are the key properties of 9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 564.69 g/mol, XLogP of 9.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 121422907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).