8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole

C44H27N3O — CID 142570283

IUPAC8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc5ccccc5c4c4cccc(-c5ccc6c(c5)oc5ccccc56)c43)n2)cc1
InChIInChI=1S/C44H27N3O/c1-3-13-29(14-4-1)37-27-38(30-15-5-2-6-16-30)46-44(45-37)47-39-25-23-28-12-7-8-17-32(28)42(39)36-20-11-19-33(43(36)47)31-22-24-35-34-18-9-10-21-40(34)48-41(35)26-31/h1-27H
InChIKeyDOBJCBVVZUWRIW-UHFFFAOYSA-N
MW613.72 g/mol
LogP11.63
Rot. Bonds4

About 8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole

8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole (PubChem CID 142570283) has the molecular formula C44H27N3O and a molecular weight of 613.72 g/mol. Its IUPAC name is 8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
PubChem CID142570283
Molecular FormulaC44H27N3O
Molecular Weight613.72 g/mol
Exact Mass613.22
IUPAC Name8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc5ccccc5c4c4cccc(-c5ccc6c(c5)oc5ccccc56)c43)n2)cc1
InChIInChI=1S/C44H27N3O/c1-3-13-29(14-4-1)37-27-38(30-15-5-2-6-16-30)46-44(45-37)47-39-25-23-28-12-7-8-17-32(28)42(39)36-20-11-19-33(43(36)47)31-22-24-35-34-18-9-10-21-40(34)48-41(35)26-31/h1-27H
InChIKeyDOBJCBVVZUWRIW-UHFFFAOYSA-N
XLogP11.63
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzofuran-10-ylbenzo[c]carbazole
CID 142571239
8-dibenzofuran-3-yl-7-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 142569722
8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
CID 142569627
8-dibenzofuran-2-yl-7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570296
8-dibenzofuran-3-yl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 142570474
8-dibenzofuran-2-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 142571135
7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole
CID 142570942
8-dibenzofuran-2-yl-7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142571784
7-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]-8-(3-dibenzofuran-1-ylphenyl)benzo[c]carbazole
CID 142569498
7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-8-dibenzothiophen-3-ylbenzo[c]carbazole
CID 142571736
7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(7,7-dimethylbenzo[c]fluoren-10-yl)benzo[c]carbazole
CID 163654534
18-(4,6-diphenylpyrimidin-2-yl)-14-oxa-18-azaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene
CID 122595484

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole?
The IUPAC name of 8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole (CID 142570283) is 8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole?
The canonical SMILES for 8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc5ccccc5c4c4cccc(-c5ccc6c(c5)oc5ccccc56)c43)n2)cc1.
What is the InChIKey of 8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole?
The InChIKey is DOBJCBVVZUWRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O/c1-3-13-29(14-4-1)37-27-38(30-15-5-2-6-16-30)46-44(45-37)47-39-25-23-28-12-7-8-17-32(28)42(39)36-20-11-19-33(43(36)47)31-22-24-35-34-18-9-10-21-40(34)48-41(35)26-31/h1-27H.
What are the key properties of 8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole?
8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole has a molecular weight of 613.72 g/mol, XLogP of 11.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzofuran-3-yl-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 142570283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).