4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine

C43H30N2O — CID 118100294

IUPAC4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c3)c21
InChIInChI=1S/C43H30N2O/c1-43(2)36-23-8-6-20-35(36)40-38(43)39(44-42(45-40)27-13-4-3-5-14-27)31-18-11-16-29(26-31)28-15-10-17-30(25-28)32-21-12-22-34-33-19-7-9-24-37(33)46-41(32)34/h3-26H,1-2H3
InChIKeyIWBGNVBTAMBAID-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.35
Rot. Bonds4

About 4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine

4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine (PubChem CID 118100294) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is 4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
PubChem CID118100294
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Name4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c3)c21
InChIInChI=1S/C43H30N2O/c1-43(2)36-23-8-6-20-35(36)40-38(43)39(44-42(45-40)27-13-4-3-5-14-27)31-18-11-16-29(26-31)28-15-10-17-30(25-28)32-21-12-22-34-33-19-7-9-24-37(33)46-41(32)34/h3-26H,1-2H3
InChIKeyIWBGNVBTAMBAID-UHFFFAOYSA-N
XLogP11.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100083
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100260
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100266
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100265
7-dibenzofuran-4-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;8-dibenzofuran-4-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine
CID 159798811
7-dibenzofuran-4-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;8-dibenzofuran-4-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;4-(4-dibenzofuran-2-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 162150643
4-dibenzofuran-4-yl-5,5-dimethyl-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100159
7-dibenzofuran-4-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118476820
2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118100072
4-(3-dibenzofuran-2-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-8-(4-naphthalen-2-ylphenyl)-2,4-diphenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine
CID 157250240
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
The IUPAC name of 4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine (CID 118100294) is 4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine.
What is the SMILES notation for 4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
The canonical SMILES for 4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine is CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5oc5ccccc56)c4)c3)c21.
What is the InChIKey of 4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
The InChIKey is IWBGNVBTAMBAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-43(2)36-23-8-6-20-35(36)40-38(43)39(44-42(45-40)27-13-4-3-5-14-27)31-18-11-16-29(26-31)28-15-10-17-30(25-28)32-21-12-22-34-33-19-7-9-24-37(33)46-41(32)34/h3-26H,1-2H3.
What are the key properties of 4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine?
4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine has a molecular weight of 590.73 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine is sourced from PubChem (CID 118100294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).