2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole

C40H28N2O — CID 58309665

IUPAC2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc4ccccc43)cc21
InChIInChI=1S/C40H28N2O/c1-40(2)33-14-5-3-10-29(33)30-23-22-27(24-34(30)40)42-36-16-7-6-15-35(36)41-39(42)26-20-18-25(19-21-26)28-12-9-13-32-31-11-4-8-17-37(31)43-38(28)32/h3-24H,1-2H3
InChIKeyVNHVZVVUYUZUGF-UHFFFAOYSA-N
MW552.68 g/mol
LogP10.57
Rot. Bonds3

About 2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole

2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole (PubChem CID 58309665) has the molecular formula C40H28N2O and a molecular weight of 552.68 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole
PubChem CID58309665
Molecular FormulaC40H28N2O
Molecular Weight552.68 g/mol
Exact Mass552.22
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc4ccccc43)cc21
InChIInChI=1S/C40H28N2O/c1-40(2)33-14-5-3-10-29(33)30-23-22-27(24-34(30)40)42-36-16-7-6-15-35(36)41-39(42)26-20-18-25(19-21-26)28-12-9-13-32-31-11-4-8-17-37(31)43-38(28)32/h3-24H,1-2H3
InChIKeyVNHVZVVUYUZUGF-UHFFFAOYSA-N
XLogP10.57
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.68
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-dibenzofuran-4-yl-5,5-dimethyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[1,2-d]pyrimidine
CID 118100161
7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[b]fluoren-2-yl)indolo[2,3-b]carbazole
CID 126580142
2,5-di(dibenzofuran-4-yl)-1,4-bis(9,9-dimethylfluoren-2-yl)pyrrolo[3,2-b]pyrrole
CID 145348092
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
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
3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole
CID 67818381
5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90225202
7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[a]fluoren-9-yl)indolo[2,3-b]carbazole
CID 126580144
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(6-phenyldibenzofuran-2-yl)carbazole
CID 170080701

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole (CID 58309665) is 2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole is CC1(C)c2ccccc2-c2ccc(-n3c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc4ccccc43)cc21.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole?
The InChIKey is VNHVZVVUYUZUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2O/c1-40(2)33-14-5-3-10-29(33)30-23-22-27(24-34(30)40)42-36-16-7-6-15-35(36)41-39(42)26-20-18-25(19-21-26)28-12-9-13-32-31-11-4-8-17-37(31)43-38(28)32/h3-24H,1-2H3.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole?
2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole has a molecular weight of 552.68 g/mol, XLogP of 10.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole is sourced from PubChem (CID 58309665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).