1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole

C34H24N2O — CID 59691057

IUPAC1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(-c4cccc5ccccc45)nc4oc5ccccc5n34)cc21
InChIInChI=1S/C34H24N2O/c1-34(2)27-15-6-5-13-24(27)25-19-18-22(20-28(25)34)32-31(26-14-9-11-21-10-3-4-12-23(21)26)35-33-36(32)29-16-7-8-17-30(29)37-33/h3-20H,1-2H3
InChIKeyAXLSOHIMOARKHV-UHFFFAOYSA-N
MW476.58 g/mol
LogP8.87
Rot. Bonds2

About 1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole

1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole (PubChem CID 59691057) has the molecular formula C34H24N2O and a molecular weight of 476.58 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole
PubChem CID59691057
Molecular FormulaC34H24N2O
Molecular Weight476.58 g/mol
Exact Mass476.19
IUPAC Name1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(-c4cccc5ccccc45)nc4oc5ccccc5n34)cc21
InChIInChI=1S/C34H24N2O/c1-34(2)27-15-6-5-13-24(27)25-19-18-22(20-28(25)34)32-31(26-14-9-11-21-10-3-4-12-23(21)26)35-33-36(32)29-16-7-8-17-30(29)37-33/h3-20H,1-2H3
InChIKeyAXLSOHIMOARKHV-UHFFFAOYSA-N
XLogP8.87
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-1-phenylimidazo[2,1-b][1,3]benzoxazole
CID 59691080
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021
1-(4-carbazol-9-ylphenyl)-2-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]benzoxazole
CID 59691239
3-benzo[b]carbazol-5-yl-2-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-b]pyrazine
CID 146391578
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176587483
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
7,15-bis(9,9-dimethylfluoren-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 118145607
9-(9,9-dimethylfluoren-2-yl)-15-[4-(12,12-dimethyl-15-naphthalen-1-yl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)phenyl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479669
6-(9,9-dimethylfluoren-2-yl)-11-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran
CID 176777836
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
6,12-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylchrysene
CID 58511709

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole?
The IUPAC name of 1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole (CID 59691057) is 1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole is CC1(C)c2ccccc2-c2ccc(-c3c(-c4cccc5ccccc45)nc4oc5ccccc5n34)cc21.
What is the InChIKey of 1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole?
The InChIKey is AXLSOHIMOARKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O/c1-34(2)27-15-6-5-13-24(27)25-19-18-22(20-28(25)34)32-31(26-14-9-11-21-10-3-4-12-23(21)26)35-33-36(32)29-16-7-8-17-30(29)37-33/h3-20H,1-2H3.
What are the key properties of 1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole?
1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole has a molecular weight of 476.58 g/mol, XLogP of 8.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylimidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 59691057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).