9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole

C40H25N3O — CID 130327501

IUPAC9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)cc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C40H25N3O/c1-3-12-26(13-4-1)28-22-23-36-32(24-28)29-16-7-9-19-35(29)43(36)40-41-33(27-14-5-2-6-15-27)25-34(42-40)30-18-11-21-38-39(30)31-17-8-10-20-37(31)44-38/h1-25H
InChIKeyVIJDRRIDOCXCPS-UHFFFAOYSA-N
MW563.66 g/mol
LogP10.47
Rot. Bonds4

About 9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole

9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole (PubChem CID 130327501) has the molecular formula C40H25N3O and a molecular weight of 563.66 g/mol. Its IUPAC name is 9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole
PubChem CID130327501
Molecular FormulaC40H25N3O
Molecular Weight563.66 g/mol
Exact Mass563.20
IUPAC Name9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)cc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C40H25N3O/c1-3-12-26(13-4-1)28-22-23-36-32(24-28)29-16-7-9-19-35(29)43(36)40-41-33(27-14-5-2-6-15-27)25-34(42-40)30-18-11-21-38-39(30)31-17-8-10-20-37(31)44-38/h1-25H
InChIKeyVIJDRRIDOCXCPS-UHFFFAOYSA-N
XLogP10.47
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358
3-dibenzofuran-2-yl-9-(4,6-diphenylpyrimidin-2-yl)-6-phenylcarbazole
CID 163626219
1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane
CID 161229807
3-(9-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309636
3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 166953160
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
3-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 168768203
3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168768511
[3-[6-dibenzofuran-4-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 168836422
[3-[6-dibenzofuran-4-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836375
3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 167293093
9-(4,6-diphenylpyrimidin-2-yl)-3,6-bis(3-phenylphenyl)carbazole
CID 123639414

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole?
The IUPAC name of 9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole (CID 130327501) is 9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole.
What is the SMILES notation for 9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole?
The canonical SMILES for 9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)cc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole?
The InChIKey is VIJDRRIDOCXCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N3O/c1-3-12-26(13-4-1)28-22-23-36-32(24-28)29-16-7-9-19-35(29)43(36)40-41-33(27-14-5-2-6-15-27)25-34(42-40)30-18-11-21-38-39(30)31-17-8-10-20-37(31)44-38/h1-25H.
What are the key properties of 9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole?
9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole has a molecular weight of 563.66 g/mol, XLogP of 10.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)-3-phenylcarbazole is sourced from PubChem (CID 130327501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).