3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole

C51H32N4O — CID 121422970

IUPAC3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-2-10-36(11-3-1)51-53-45(34-21-19-33(20-22-34)38-12-9-29-52-32-38)31-46(54-51)35-23-26-39(27-24-35)55-47-17-6-4-13-41(47)44-30-37(25-28-48(44)55)40-15-8-16-43-42-14-5-7-18-49(42)56-50(40)43/h1-32H
InChIKeyVCAXUYLGNLPGOH-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

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

3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (PubChem CID 121422970) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
PubChem CID121422970
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n2)cc1
InChIInChI=1S/C51H32N4O/c1-2-10-36(11-3-1)51-53-45(34-21-19-33(20-22-34)38-12-9-29-52-32-38)31-46(54-51)35-23-26-39(27-24-35)55-47-17-6-4-13-41(47)44-30-37(25-28-48(44)55)40-15-8-16-43-42-14-5-7-18-49(42)56-50(40)43/h1-32H
InChIKeyVCAXUYLGNLPGOH-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-dibenzofuran-2-ylnaphthalen-1-yl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;3-(5-dibenzofuran-4-ylnaphthalen-1-yl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;3-(5-dibenzofuran-2-ylnaphthalen-1-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159689631
9-(4-dibenzofuran-4-ylphenyl)-2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118149434
3-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-[4-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 159354385
3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118153906
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584662
3-[7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342628
3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 122451711
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158764250
3-dibenzofuran-4-yl-9-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170251153
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356
3-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126580295
9-(4-dibenzofuran-2-ylphenyl)-3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159961245

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole (CID 121422970) is 3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)cc3)n2)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
The InChIKey is VCAXUYLGNLPGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-2-10-36(11-3-1)51-53-45(34-21-19-33(20-22-34)38-12-9-29-52-32-38)31-46(54-51)35-23-26-39(27-24-35)55-47-17-6-4-13-41(47)44-30-37(25-28-48(44)55)40-15-8-16-43-42-14-5-7-18-49(42)56-50(40)43/h1-32H.
What are the key properties of 3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole?
3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 121422970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).