1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole

C29H30N2 — CID 159190073

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole
SMILESCc1cn(-c2c(C(C)C)cccc2C(C)C)c(-c2cccc3c2Cc2ccccc2-3)n1
InChIInChI=1S/C29H30N2/c1-18(2)22-12-8-13-23(19(3)4)28(22)31-17-20(5)30-29(31)26-15-9-14-25-24-11-7-6-10-21(24)16-27(25)26/h6-15,17-19H,16H2,1-5H3
InChIKeyGANDBUQSXPYROF-UHFFFAOYSA-N
MW406.57 g/mol
LogP7.67
Rot. Bonds4

About 1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole

1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole (PubChem CID 159190073) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole
PubChem CID159190073
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole
SMILESCc1cn(-c2c(C(C)C)cccc2C(C)C)c(-c2cccc3c2Cc2ccccc2-3)n1
InChIInChI=1S/C29H30N2/c1-18(2)22-12-8-13-23(19(3)4)28(22)31-17-20(5)30-29(31)26-15-9-14-25-24-11-7-6-10-21(24)16-27(25)26/h6-15,17-19H,16H2,1-5H3
InChIKeyGANDBUQSXPYROF-UHFFFAOYSA-N
XLogP7.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene
CID 151273743
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene
CID 175089715
1-(4-propan-2-yl-1H-inden-1-yl)-9H-fluorene
CID 22910379
1,8-di(propan-2-yl)-9H-fluorene
CID 160592533
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
9H-fluoren-1-yl-tri(propan-2-yl)silane
CID 162150347
1-(2,6-diphenylphenyl)-2-(8-propan-2-yl-9H-fluoren-3-yl)imidazole
CID 157071035
1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride
CID 19935939
1-[2-(9H-fluoren-1-yl)phenyl]ethyl-phenylazanide;titanium(3+);dichloride
CID 87566723
4-(9H-fluoren-1-yl)pentan-2-ol
CID 151971706
1-(4-ethoxy-3-propan-2-ylphenyl)-9H-fluorene
CID 175394997

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole (CID 159190073) is 1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole is Cc1cn(-c2c(C(C)C)cccc2C(C)C)c(-c2cccc3c2Cc2ccccc2-3)n1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole?
The InChIKey is GANDBUQSXPYROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2/c1-18(2)22-12-8-13-23(19(3)4)28(22)31-17-20(5)30-29(31)26-15-9-14-25-24-11-7-6-10-21(24)16-27(25)26/h6-15,17-19H,16H2,1-5H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole?
1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole has a molecular weight of 406.57 g/mol, XLogP of 7.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole is sourced from PubChem (CID 159190073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).