9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole

C35H25N3 — CID 166509952

IUPAC9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole
SMILESCc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C35H25N3/c1-24-22-27(20-21-32(24)38-33-18-10-8-16-28(33)29-17-9-11-19-34(29)38)31-23-30(25-12-4-2-5-13-25)36-35(37-31)26-14-6-3-7-15-26/h2-23H,1H3
InChIKeyGBBLGBBNBRZFPO-UHFFFAOYSA-N
MW487.61 g/mol
LogP8.88
Rot. Bonds4

About 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole

9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole (PubChem CID 166509952) has the molecular formula C35H25N3 and a molecular weight of 487.61 g/mol. Its IUPAC name is 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole.

Molecular Properties

Compound Name9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole
PubChem CID166509952
Molecular FormulaC35H25N3
Molecular Weight487.61 g/mol
Exact Mass487.20
IUPAC Name9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole
SMILESCc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C35H25N3/c1-24-22-27(20-21-32(24)38-33-18-10-8-16-28(33)29-17-9-11-19-34(29)38)31-23-30(25-12-4-2-5-13-25)36-35(37-31)26-14-6-3-7-15-26/h2-23H,1H3
InChIKeyGBBLGBBNBRZFPO-UHFFFAOYSA-N
XLogP8.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.61
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
CID 126730691
9-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]-2,5-dimethylphenyl]carbazole
CID 67574346
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole
CID 130352928
9-(2-methyl-4-phenylphenyl)carbazole
CID 143868574
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole
CID 155463281
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,5-dimethylphenyl]carbazole
CID 126730426
9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-methylphenyl]-3,6-di(carbazol-9-yl)carbazole
CID 126729947
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 155463279
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-isocyanophenyl]carbazole
CID 140903137
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole
CID 137420946
3-(3,5-dimethylphenyl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421384
9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole
CID 137421078

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole?
The IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole (CID 166509952) is 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole.
What is the SMILES notation for 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole?
The canonical SMILES for 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole is Cc1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole?
The InChIKey is GBBLGBBNBRZFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3/c1-24-22-27(20-21-32(24)38-33-18-10-8-16-28(33)29-17-9-11-19-34(29)38)31-23-30(25-12-4-2-5-13-25)36-35(37-31)26-14-6-3-7-15-26/h2-23H,1H3.
What are the key properties of 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole?
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole has a molecular weight of 487.61 g/mol, XLogP of 8.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]carbazole is sourced from PubChem (CID 166509952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).