2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole

C30H23N3 — CID 122395291

IUPAC2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)c3c4ccccc4n(-c4ncccn4)c3c2)cc1
InChIInChI=1S/C30H23N3/c1-20-8-12-22(13-9-20)24-18-26(23-14-10-21(2)11-15-23)29-25-6-3-4-7-27(25)33(28(29)19-24)30-31-16-5-17-32-30/h3-19H,1-2H3
InChIKeyBVKGILYSAALLQA-UHFFFAOYSA-N
MW425.54 g/mol
LogP7.52
Rot. Bonds3

About 2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole

2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole (PubChem CID 122395291) has the molecular formula C30H23N3 and a molecular weight of 425.54 g/mol. Its IUPAC name is 2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole.

Molecular Properties

Compound Name2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole
PubChem CID122395291
Molecular FormulaC30H23N3
Molecular Weight425.54 g/mol
Exact Mass425.19
IUPAC Name2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)c3c4ccccc4n(-c4ncccn4)c3c2)cc1
InChIInChI=1S/C30H23N3/c1-20-8-12-22(13-9-20)24-18-26(23-14-10-21(2)11-15-23)29-25-6-3-4-7-27(25)33(28(29)19-24)30-31-16-5-17-32-30/h3-19H,1-2H3
InChIKeyBVKGILYSAALLQA-UHFFFAOYSA-N
XLogP7.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2-(3-phenylphenyl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170539134
9-[4-[1-(2,6-dimethylphenyl)imidazol-2-yl]phenyl]-2,4-diphenylcarbazole
CID 140799994
4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline
CID 118506897
4-phenyl-9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087478
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole
CID 170539165
2-methyl-4,9-diphenylcarbazole
CID 134488069
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole
CID 155203348
N,N-bis(4-phenylphenyl)-3-(9-pyrimidin-2-ylcarbazol-3-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(6-phenyl-9-pyrimidin-2-ylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline
CID 157152795
2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 155203330
9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087437
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
CID 162775169
9-phenyl-14-pyrimidin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038360

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole?
The IUPAC name of 2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole (CID 122395291) is 2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole.
What is the SMILES notation for 2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole?
The canonical SMILES for 2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole is Cc1ccc(-c2cc(-c3ccc(C)cc3)c3c4ccccc4n(-c4ncccn4)c3c2)cc1.
What is the InChIKey of 2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole?
The InChIKey is BVKGILYSAALLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3/c1-20-8-12-22(13-9-20)24-18-26(23-14-10-21(2)11-15-23)29-25-6-3-4-7-27(25)33(28(29)19-24)30-31-16-5-17-32-30/h3-19H,1-2H3.
What are the key properties of 2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole?
2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole has a molecular weight of 425.54 g/mol, XLogP of 7.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole is sourced from PubChem (CID 122395291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).