4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine

C44H30N4O — CID 118100161

IUPAC4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)nc(-c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C44H30N4O/c1-44(2)34-19-8-6-16-32(34)39-38(44)40(33-18-12-17-31-30-15-7-11-22-37(30)49-41(31)33)47-42(46-39)27-23-25-28(26-24-27)43-45-35-20-9-10-21-36(35)48(43)29-13-4-3-5-14-29/h3-26H,1-2H3
InChIKeyYWVAPFGLUOIUDG-UHFFFAOYSA-N
MW630.75 g/mol
LogP11.02
Rot. Bonds4

About 4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine

4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine (PubChem CID 118100161) has the molecular formula C44H30N4O and a molecular weight of 630.75 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
PubChem CID118100161
Molecular FormulaC44H30N4O
Molecular Weight630.75 g/mol
Exact Mass630.24
IUPAC Name4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)nc(-c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C44H30N4O/c1-44(2)34-19-8-6-16-32(34)39-38(44)40(33-18-12-17-31-30-15-7-11-22-37(30)49-41(31)33)47-42(46-39)27-23-25-28(26-24-27)43-45-35-20-9-10-21-36(35)48(43)29-13-4-3-5-14-29/h3-26H,1-2H3
InChIKeyYWVAPFGLUOIUDG-UHFFFAOYSA-N
XLogP11.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzothiazole;2-[4-[4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]phenyl]-1,3-benzoxazole;4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
CID 161006828
2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole
CID 58309665
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100260
4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118100294
2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118100072
1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole
CID 122627128
2-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100083
2-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-1-phenylbenzimidazole
CID 58309657
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
3-[4,6-bis(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;9-[4-[4,6-bis(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]phenyl]carbazole;5-[4-dibenzofuran-4-yl-6-(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-1,2-diphenylbenzimidazole;5-[4-dibenzothiophen-4-yl-6-(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-1,2-diphenylbenzimidazole;5-[4-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylbenzimidazol-5-yl)-1,3,5-triazin-2-yl]-1,2-diphenylbenzimidazole;1,2-diphenyl-5-[4-[4-phenyl-6-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 159852810
4-(3-dibenzothiophen-4-ylphenyl)-5,5-dimethyl-2-[3-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
CID 118100245
1-phenyl-2-[4-[10-[18,18,21,21-tetramethyl-15-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaen-24-yl]anthracen-9-yl]phenyl]benzimidazole
CID 139477691

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine (CID 118100161) is 4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine is CC1(C)c2ccccc2-c2nc(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)nc(-c3cccc4c3oc3ccccc34)c21.
What is the InChIKey of 4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine?
The InChIKey is YWVAPFGLUOIUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4O/c1-44(2)34-19-8-6-16-32(34)39-38(44)40(33-18-12-17-31-30-15-7-11-22-37(30)49-41(31)33)47-42(46-39)27-23-25-28(26-24-27)43-45-35-20-9-10-21-36(35)48(43)29-13-4-3-5-14-29/h3-26H,1-2H3.
What are the key properties of 4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine?
4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine has a molecular weight of 630.75 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine is sourced from PubChem (CID 118100161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).