5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole

C49H33N3O — CID 118154014

IUPAC5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C49H33N3O/c1-49(2)40-20-9-6-15-33(40)38-28-44-39(27-41(38)49)34-16-7-10-21-43(34)52(44)46-29-42(32-25-23-31(24-26-32)30-13-4-3-5-14-30)50-48(51-46)37-19-12-18-36-35-17-8-11-22-45(35)53-47(36)37/h3-29H,1-2H3
InChIKeyIEUKYOBPFCFASA-UHFFFAOYSA-N
MW679.82 g/mol
LogP12.78
Rot. Bonds4

About 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole

5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole (PubChem CID 118154014) has the molecular formula C49H33N3O and a molecular weight of 679.82 g/mol. Its IUPAC name is 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole.

Molecular Properties

Compound Name5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
PubChem CID118154014
Molecular FormulaC49H33N3O
Molecular Weight679.82 g/mol
Exact Mass679.26
IUPAC Name5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C49H33N3O/c1-49(2)40-20-9-6-15-33(40)38-28-44-39(27-41(38)49)34-16-7-10-21-43(34)52(44)46-29-42(32-25-23-31(24-26-32)30-13-4-3-5-14-30)50-48(51-46)37-19-12-18-36-35-17-8-11-22-45(35)53-47(36)37/h3-29H,1-2H3
InChIKeyIEUKYOBPFCFASA-UHFFFAOYSA-N
XLogP12.78
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 158783189
5-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 169014938
9-dibenzofuran-4-yl-11,11-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 130209419
9-[2-dibenzofuran-2-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 161410488
3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 122451711
5-(3,5-diphenylphenyl)-[1]benzofuro[3,2-c]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 159969204
5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11,11-dimethyl-5-(3-phenylquinoxalin-2-yl)indeno[1,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,11-dimethyl-2-phenylindeno[1,2-b]carbazole
CID 165082751
11,11-dimethyl-5-[4-(4-phenylphenyl)quinolin-2-yl]indeno[1,2-b]carbazole
CID 90076019
9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209455
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 167349260
7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole
CID 130209425
3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 161332282

Frequently Asked Questions

What is the IUPAC name of 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The IUPAC name of 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole (CID 118154014) is 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole.
What is the SMILES notation for 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The canonical SMILES for 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc3c2oc2ccccc23)n1.
What is the InChIKey of 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole?
The InChIKey is IEUKYOBPFCFASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O/c1-49(2)40-20-9-6-15-33(40)38-28-44-39(27-41(38)49)34-16-7-10-21-43(34)52(44)46-29-42(32-25-23-31(24-26-32)30-13-4-3-5-14-30)50-48(51-46)37-19-12-18-36-35-17-8-11-22-45(35)53-47(36)37/h3-29H,1-2H3.
What are the key properties of 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole?
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole has a molecular weight of 679.82 g/mol, XLogP of 12.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole is sourced from PubChem (CID 118154014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).