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

C38H25N5 — CID 121422816

IUPAC9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccccc3-c3ccncn3)n2)cc1
InChIInChI=1S/C38H25N5/c1-2-10-27(11-3-1)38-41-34(24-35(42-38)30-13-5-4-12-29(30)33-22-23-39-25-40-33)26-18-20-28(21-19-26)43-36-16-8-6-14-31(36)32-15-7-9-17-37(32)43/h1-25H
InChIKeyDOQNYGNNDKGJCN-UHFFFAOYSA-N
MW551.65 g/mol
LogP9.03
Rot. Bonds5

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

9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (PubChem CID 121422816) has the molecular formula C38H25N5 and a molecular weight of 551.65 g/mol. Its IUPAC name is 9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
PubChem CID121422816
Molecular FormulaC38H25N5
Molecular Weight551.65 g/mol
Exact Mass551.21
IUPAC Name9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccccc3-c3ccncn3)n2)cc1
InChIInChI=1S/C38H25N5/c1-2-10-27(11-3-1)38-41-34(24-35(42-38)30-13-5-4-12-29(30)33-22-23-39-25-40-33)26-18-20-28(21-19-26)43-36-16-8-6-14-31(36)32-15-7-9-17-37(32)43/h1-25H
InChIKeyDOQNYGNNDKGJCN-UHFFFAOYSA-N
XLogP9.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 121422929
9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]naphthalen-1-yl]phenyl]carbazole
CID 167237400
11-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[3,2-b]carbazole
CID 121385495
9-[4-[4-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole;9-[4-[4-[6-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158785186
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
8-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[4,3-b]indole
CID 135252602
9-[4-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 121258076
3-carbazol-9-yl-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730416
9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 165000137
9-[4-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 58971465
2-[9-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511258

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (CID 121422816) is 9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccccc3-c3ccncn3)n2)cc1.
What is the InChIKey of 9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The InChIKey is DOQNYGNNDKGJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5/c1-2-10-27(11-3-1)38-41-34(24-35(42-38)30-13-5-4-12-29(30)33-22-23-39-25-40-33)26-18-20-28(21-19-26)43-36-16-8-6-14-31(36)32-15-7-9-17-37(32)43/h1-25H.
What are the key properties of 9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 551.65 g/mol, XLogP of 9.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 121422816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).