4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole

C34H23N3 — CID 121477925

IUPAC4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5[nH]c6ccccc6c45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C34H23N3/c1-3-11-23(12-4-1)31-22-32(37-34(36-31)24-13-5-2-6-14-24)26-16-9-15-25(21-26)27-18-10-20-30-33(27)28-17-7-8-19-29(28)35-30/h1-22,35H
InChIKeyKNIZDPWZGKOQEK-UHFFFAOYSA-N
MW473.58 g/mol
LogP8.78
Rot. Bonds4

About 4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole

4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole (PubChem CID 121477925) has the molecular formula C34H23N3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
PubChem CID121477925
Molecular FormulaC34H23N3
Molecular Weight473.58 g/mol
Exact Mass473.19
IUPAC Name4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5[nH]c6ccccc6c45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C34H23N3/c1-3-11-23(12-4-1)31-22-32(37-34(36-31)24-13-5-2-6-14-24)26-16-9-15-25(21-26)27-18-10-20-30-33(27)28-17-7-8-19-29(28)35-30/h1-22,35H
InChIKeyKNIZDPWZGKOQEK-UHFFFAOYSA-N
XLogP8.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 58.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121306346
1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 155673306
ethane;4-phenyl-9H-carbazole
CID 168948755
4,6-bis(3-dibenzothiophen-1-ylphenyl)-2-phenylpyrimidine
CID 139304929
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 121306334
4-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9H-carbazole
CID 176794704
3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole
CID 139504814
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
4-[2-chrysen-3-yl-6-(2-phenylphenyl)pyrimidin-4-yl]-9H-carbazole
CID 170248307
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[5-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]naphthalen-1-yl]pyrimidine
CID 122470462
2-[3-[2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167216324
4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 170003223

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole?
The IUPAC name of 4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole (CID 121477925) is 4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole.
What is the SMILES notation for 4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole?
The canonical SMILES for 4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole is c1ccc(-c2cc(-c3cccc(-c4cccc5[nH]c6ccccc6c45)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole?
The InChIKey is KNIZDPWZGKOQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3/c1-3-11-23(12-4-1)31-22-32(37-34(36-31)24-13-5-2-6-14-24)26-16-9-15-25(21-26)27-18-10-20-30-33(27)28-17-7-8-19-29(28)35-30/h1-22,35H.
What are the key properties of 4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole?
4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole has a molecular weight of 473.58 g/mol, XLogP of 8.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole is sourced from PubChem (CID 121477925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).