1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole

C45H36N2O2 — CID 164760359

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1-c1cccc2c1oc1cc(-c3ccc4oc5c(-c6ccccc6)cccc5c4c3)ccc12
InChIInChI=1S/C45H36N2O2/c1-27(2)32-13-8-14-33(28(3)4)42(32)47-24-23-46-45(47)38-18-10-16-36-35-21-19-31(26-41(35)49-44(36)38)30-20-22-40-39(25-30)37-17-9-15-34(43(37)48-40)29-11-6-5-7-12-29/h5-28H,1-4H3
InChIKeyADHVJKKCEMPHJD-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.92
Rot. Bonds6

About 1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole

1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole (PubChem CID 164760359) has the molecular formula C45H36N2O2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
PubChem CID164760359
Molecular FormulaC45H36N2O2
Molecular Weight636.80 g/mol
Exact Mass636.28
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1-c1cccc2c1oc1cc(-c3ccc4oc5c(-c6ccccc6)cccc5c4c3)ccc12
InChIInChI=1S/C45H36N2O2/c1-27(2)32-13-8-14-33(28(3)4)42(32)47-24-23-46-45(47)38-18-10-16-36-35-21-19-31(26-41(35)49-44(36)38)30-20-22-40-39(25-30)37-17-9-15-34(43(37)48-40)29-11-6-5-7-12-29/h5-28H,1-4H3
InChIKeyADHVJKKCEMPHJD-UHFFFAOYSA-N
XLogP12.92
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(17-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14(19),15,17,20-decaen-8-yl)imidazole
CID 171051628
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(15-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)imidazole
CID 171051613
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
2-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;3-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran;4-[4-(4-propan-2-ylnaphthalen-1-yl)phenyl]dibenzofuran
CID 158759484
2-[7-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]dibenzofuran-4-yl]-1-[2,4,6-tris(2-deuteriopropan-2-yl)phenyl]imidazole
CID 168843066
1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
CID 140866253
6-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-b]pyridine
CID 164825526
1-[2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenyl]-2-dibenzofuran-2-ylimidazole
CID 166564056
7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran;7-phenyl-2-propan-2-yldibenzofuran
CID 164972910
1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole
CID 58400936
2-tert-butyl-7-phenyldibenzofuran;7-tert-butyl-1-phenyldibenzofuran;1-phenyl-8-propan-2-yldibenzofuran;2-phenyl-8-propan-2-yldibenzofuran;6-phenyl-1-propan-2-yldibenzofuran;6-phenyl-2-propan-2-yldibenzofuran
CID 165014569
1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole
CID 140627594

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole (CID 164760359) is 1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1cccc2c1oc1cc(-c3ccc4oc5c(-c6ccccc6)cccc5c4c3)ccc12.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole?
The InChIKey is ADHVJKKCEMPHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N2O2/c1-27(2)32-13-8-14-33(28(3)4)42(32)47-24-23-46-45(47)38-18-10-16-36-35-21-19-31(26-41(35)49-44(36)38)30-20-22-40-39(25-30)37-17-9-15-34(43(37)48-40)29-11-6-5-7-12-29/h5-28H,1-4H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole?
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole has a molecular weight of 636.80 g/mol, XLogP of 12.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole is sourced from PubChem (CID 164760359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).