4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole

C36H36N2O — CID 155644271

IUPAC4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(-c3cn(-c4cccc(Oc5ccccc5)c4)cn3)cc21
InChIInChI=1S/C36H36N2O/c1-3-5-21-36(22-6-4-2)33-18-11-10-17-31(33)32-20-19-27(23-34(32)36)35-25-38(26-37-35)28-13-12-16-30(24-28)39-29-14-8-7-9-15-29/h7-20,23-26H,3-6,21-22H2,1-2H3
InChIKeyJCZASLBAJNLRCN-UHFFFAOYSA-N
MW512.70 g/mol
LogP9.98
Rot. Bonds10

About 4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole

4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole (PubChem CID 155644271) has the molecular formula C36H36N2O and a molecular weight of 512.70 g/mol. Its IUPAC name is 4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole.

Molecular Properties

Compound Name4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole
PubChem CID155644271
Molecular FormulaC36H36N2O
Molecular Weight512.70 g/mol
Exact Mass512.28
IUPAC Name4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(-c3cn(-c4cccc(Oc5ccccc5)c4)cn3)cc21
InChIInChI=1S/C36H36N2O/c1-3-5-21-36(22-6-4-2)33-18-11-10-17-31(33)32-20-19-27(23-34(32)36)35-25-38(26-37-35)28-13-12-16-30(24-28)39-29-14-8-7-9-15-29/h7-20,23-26H,3-6,21-22H2,1-2H3
InChIKeyJCZASLBAJNLRCN-UHFFFAOYSA-N
XLogP9.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(9,9-dioctylfluoren-2-yl)-1-phenyltriazole
CID 102447604
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one
CID 102430700
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
9-[4-[6-(9,9-dibutylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 67678311
5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine
CID 122679738
2-phenyl-9,9-dipropylfluorene
CID 154114384
2,5-bis(9,9-dioctylfluoren-2-yl)-3,6-dihexylpyrazine
CID 59188383
4,7-bis(9,9-dioctylfluoren-2-yl)-5,6-dioctoxy-2-octylbenzotriazole
CID 168726796
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole?
The IUPAC name of 4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole (CID 155644271) is 4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole.
What is the SMILES notation for 4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole?
The canonical SMILES for 4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole is CCCCC1(CCCC)c2ccccc2-c2ccc(-c3cn(-c4cccc(Oc5ccccc5)c4)cn3)cc21.
What is the InChIKey of 4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole?
The InChIKey is JCZASLBAJNLRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N2O/c1-3-5-21-36(22-6-4-2)33-18-11-10-17-31(33)32-20-19-27(23-34(32)36)35-25-38(26-37-35)28-13-12-16-30(24-28)39-29-14-8-7-9-15-29/h7-20,23-26H,3-6,21-22H2,1-2H3.
What are the key properties of 4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole?
4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole has a molecular weight of 512.70 g/mol, XLogP of 9.98, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dibutylfluoren-2-yl)-1-(3-phenoxyphenyl)imidazole is sourced from PubChem (CID 155644271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).