9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole

C46H29N3O — CID 166952321

IUPAC9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c5c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C46H29N3O/c1-3-12-30(13-4-1)32-16-11-17-33(26-32)40-29-41(48-46(47-40)31-14-5-2-6-15-31)34-22-25-44-39(27-34)38-24-23-35(28-45(38)50-44)49-42-20-9-7-18-36(42)37-19-8-10-21-43(37)49/h1-29H
InChIKeyQYMCPZISGLAKIG-UHFFFAOYSA-N
MW639.76 g/mol
LogP12.14
Rot. Bonds5

About 9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole

9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole (PubChem CID 166952321) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole
PubChem CID166952321
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c5c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C46H29N3O/c1-3-12-30(13-4-1)32-16-11-17-33(26-32)40-29-41(48-46(47-40)31-14-5-2-6-15-31)34-22-25-44-39(27-34)38-24-23-35(28-45(38)50-44)49-42-20-9-7-18-36(42)37-19-8-10-21-43(37)49/h1-29H
InChIKeyQYMCPZISGLAKIG-UHFFFAOYSA-N
XLogP12.14
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335804
9-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953169
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158561754
3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-2-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 158922276
9-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole;9-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]carbazole
CID 158049132
9-(8-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080657
3-dibenzofuran-3-yl-9-[4-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole;3-dibenzofuran-3-yl-9-[3-[4-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]phenyl]carbazole;3-dibenzofuran-3-yl-9-[4-[2-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 158701376
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 70659228
9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-2-phenylcarbazole;2,7-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;3,6-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;2-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 162161772
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-phenylcarbazole
CID 146336156
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 154602336

Frequently Asked Questions

What is the IUPAC name of 9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole?
The IUPAC name of 9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole (CID 166952321) is 9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole?
The canonical SMILES for 9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccc5oc6cc(-n7c8ccccc8c8ccccc87)ccc6c5c4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole?
The InChIKey is QYMCPZISGLAKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-3-12-30(13-4-1)32-16-11-17-33(26-32)40-29-41(48-46(47-40)31-14-5-2-6-15-31)34-22-25-44-39(27-34)38-24-23-35(28-45(38)50-44)49-42-20-9-7-18-36(42)37-19-8-10-21-43(37)49/h1-29H.
What are the key properties of 9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole?
9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole has a molecular weight of 639.76 g/mol, XLogP of 12.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 166952321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).