1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole

C29H24N2 — CID 143828980

IUPAC1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C29H24N2/c1-19-30-27-10-6-7-11-28(27)31(19)22-15-12-20(13-16-22)21-14-17-24-23-8-4-5-9-25(23)29(2,3)26(24)18-21/h4-18H,1-3H3
InChIKeyNGKRKFLYWACEHR-UHFFFAOYSA-N
MW400.53 g/mol
LogP7.31
Rot. Bonds2

About 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole

1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole (PubChem CID 143828980) has the molecular formula C29H24N2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole
PubChem CID143828980
Molecular FormulaC29H24N2
Molecular Weight400.53 g/mol
Exact Mass400.19
IUPAC Name1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C29H24N2/c1-19-30-27-10-6-7-11-28(27)31(19)22-15-12-20(13-16-22)21-14-17-24-23-8-4-5-9-25(23)29(2,3)26(24)18-21/h4-18H,1-3H3
InChIKeyNGKRKFLYWACEHR-UHFFFAOYSA-N
XLogP7.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828968
1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 169070805
1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-methylbenzimidazole
CID 170236349
2-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-1-phenylbenzimidazole
CID 143828986
1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]-1,2,3,4,5,6,7,8-octadeuterioanthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 169072144
2-[4-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaenyl]phenyl]-1-phenylbenzimidazole
CID 58411797
1-[4-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]phenyl]-2-ethylbenzimidazole
CID 166042974
1-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828941
2-[14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaenyl]-1-phenylbenzimidazole
CID 58411752
1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-(trideuteriomethyl)benzimidazole
CID 169070739
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-ethylbenzimidazol-1-yl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol
CID 170242730

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole?
The IUPAC name of 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole (CID 143828980) is 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1-c1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole?
The InChIKey is NGKRKFLYWACEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2/c1-19-30-27-10-6-7-11-28(27)31(19)22-15-12-20(13-16-22)21-14-17-24-23-8-4-5-9-25(23)29(2,3)26(24)18-21/h4-18H,1-3H3.
What are the key properties of 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole?
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole has a molecular weight of 400.53 g/mol, XLogP of 7.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylbenzimidazole is sourced from PubChem (CID 143828980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).