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

C28H19N3 — CID 139504814

IUPAC3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4[nH]c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C28H19N3/c1-3-9-19(10-4-1)26-18-27(20-11-5-2-6-12-20)31-28(30-26)21-15-16-25-23(17-21)22-13-7-8-14-24(22)29-25/h1-18,29H
InChIKeyOIUBPINEIBHWJB-UHFFFAOYSA-N
MW397.48 g/mol
LogP7.11
Rot. Bonds3

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

3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole (PubChem CID 139504814) has the molecular formula C28H19N3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole.

Molecular Properties

Compound Name3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole
PubChem CID139504814
Molecular FormulaC28H19N3
Molecular Weight397.48 g/mol
Exact Mass397.16
IUPAC Name3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4[nH]c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C28H19N3/c1-3-9-19(10-4-1)26-18-27(20-11-5-2-6-12-20)31-28(30-26)21-15-16-25-23(17-21)22-13-7-8-14-24(22)29-25/h1-18,29H
InChIKeyOIUBPINEIBHWJB-UHFFFAOYSA-N
XLogP7.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 121306334
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121306346
1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 155673306
3-(9H-carbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazole
CID 159023455
4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9H-carbazole
CID 121477925
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081
3-(5-phenylindeno[1,2-b]inden-10-yl)-9H-carbazole
CID 90180362
5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole
CID 170138983
3-(3,5-diphenylphenyl)-6-phenyl-9H-carbazole
CID 176723947
4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028422
3-(6-phenylpyren-1-yl)-9H-carbazole
CID 134424912

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole?
The IUPAC name of 3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole (CID 139504814) is 3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole.
What is the SMILES notation for 3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole?
The canonical SMILES for 3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4[nH]c5ccccc5c4c3)n2)cc1.
What is the InChIKey of 3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole?
The InChIKey is OIUBPINEIBHWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3/c1-3-9-19(10-4-1)26-18-27(20-11-5-2-6-12-20)31-28(30-26)21-15-16-25-23(17-21)22-13-7-8-14-24(22)29-25/h1-18,29H.
What are the key properties of 3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole?
3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole has a molecular weight of 397.48 g/mol, XLogP of 7.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-diphenylpyrimidin-2-yl)-9H-carbazole is sourced from PubChem (CID 139504814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).