9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole

C50H32N6 — CID 121422929

IUPAC9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccncn4)cc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C50H32N6/c1-2-12-35(13-3-1)50-53-44(34-24-22-33(23-25-34)43-26-27-51-32-52-43)31-45(54-50)36-28-37(55-46-18-8-4-14-39(46)40-15-5-9-19-47(40)55)30-38(29-36)56-48-20-10-6-16-41(48)42-17-7-11-21-49(42)56/h1-32H
InChIKeyWKDIHWIZRNWUHN-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.13
Rot. Bonds6

About 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (PubChem CID 121422929) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
PubChem CID121422929
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccncn4)cc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C50H32N6/c1-2-12-35(13-3-1)50-53-44(34-24-22-33(23-25-34)43-26-27-51-32-52-43)31-45(54-50)36-28-37(55-46-18-8-4-14-39(46)40-15-5-9-19-47(40)55)30-38(29-36)56-48-20-10-6-16-41(48)42-17-7-11-21-49(42)56/h1-32H
InChIKeyWKDIHWIZRNWUHN-UHFFFAOYSA-N
XLogP12.13
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 121422816
9-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-pyrido[3,4-b]indol-9-ylphenyl]pyrido[3,4-b]indole
CID 163771254
9-[3-carbazol-9-yl-5-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 168836039
9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
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-[3-bromo-5-[6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]carbazole
CID 155195850
9-[3-[6-(4-phenylphenyl)-2-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 130465926
9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 171763921
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole
CID 151236642
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 161004929
9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]carbazole
CID 167237232

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (CID 121422929) is 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccncn4)cc3)cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The InChIKey is WKDIHWIZRNWUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-2-12-35(13-3-1)50-53-44(34-24-22-33(23-25-34)43-26-27-51-32-52-43)31-45(54-50)36-28-37(55-46-18-8-4-14-39(46)40-15-5-9-19-47(40)55)30-38(29-36)56-48-20-10-6-16-41(48)42-17-7-11-21-49(42)56/h1-32H.
What are the key properties of 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 716.85 g/mol, XLogP of 12.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 121422929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).