11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole

C46H27N3O2 — CID 146543268

IUPAC11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C46H27N3O2/c1-3-13-28(14-4-1)37-27-38(34-21-11-19-31-30-17-8-10-24-41(30)50-43(31)34)48-46(47-37)36-22-12-20-32-33-25-26-40-42(45(33)51-44(32)36)35-18-7-9-23-39(35)49(40)29-15-5-2-6-16-29/h1-27H
InChIKeyMQRGIBZCZOOIMY-UHFFFAOYSA-N
MW653.74 g/mol
LogP12.37
Rot. Bonds4

About 11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole

11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 146543268) has the molecular formula C46H27N3O2 and a molecular weight of 653.74 g/mol. Its IUPAC name is 11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
PubChem CID146543268
Molecular FormulaC46H27N3O2
Molecular Weight653.74 g/mol
Exact Mass653.21
IUPAC Name11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C46H27N3O2/c1-3-13-28(14-4-1)37-27-38(34-21-11-19-31-30-17-8-10-24-41(30)50-43(31)34)48-46(47-37)36-22-12-20-32-33-25-26-40-42(45(33)51-44(32)36)35-18-7-9-23-39(35)49(40)29-15-5-2-6-16-29/h1-27H
InChIKeyMQRGIBZCZOOIMY-UHFFFAOYSA-N
XLogP12.37
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.74
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439
3-dibenzofuran-3-yl-11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-3-yl-11-(2,6-diphenylpyrimidin-4-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-4-yl-11-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 159169194
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541205
11-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-(2,6-diphenyl-4-pyridinyl)-5-(4-phenylphenyl)-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-2-pyridinyl)-5-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole;methane
CID 158075368
12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole
CID 134168986
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 118154108
11-(2,6-diphenylpyrimidin-4-yl)-3,5-diphenyl-[1]benzofuro[3,2-c]carbazole
CID 146543296
4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 118154043
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
2-[3-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 130465762
3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118153906
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541208

Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole (CID 146543268) is 11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The InChIKey is MQRGIBZCZOOIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O2/c1-3-13-28(14-4-1)37-27-38(34-21-11-19-31-30-17-8-10-24-41(30)50-43(31)34)48-46(47-37)36-22-12-20-32-33-25-26-40-42(45(33)51-44(32)36)35-18-7-9-23-39(35)49(40)29-15-5-2-6-16-29/h1-27H.
What are the key properties of 11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole?
11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 653.74 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 146543268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).