1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole

C39H34N2 — CID 140866253

IUPAC1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
SMILESCC(C)c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(C(C)C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C39H34N2/c1-25(2)35-23-29(24-36(26(3)4)38(35)41-21-20-40-39(41)27-12-6-5-7-13-27)28-18-19-34-32-16-9-8-14-30(32)31-15-10-11-17-33(31)37(34)22-28/h5-26H,1-4H3
InChIKeyVKVSDCBMRKGOAQ-UHFFFAOYSA-N
MW530.72 g/mol
LogP10.91
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole

1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole (PubChem CID 140866253) has the molecular formula C39H34N2 and a molecular weight of 530.72 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
PubChem CID140866253
Molecular FormulaC39H34N2
Molecular Weight530.72 g/mol
Exact Mass530.27
IUPAC Name1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
SMILESCC(C)c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(C(C)C)c1-n1ccnc1-c1ccccc1
InChIInChI=1S/C39H34N2/c1-25(2)35-23-29(24-36(26(3)4)38(35)41-21-20-40-39(41)27-12-6-5-7-13-27)28-18-19-34-32-16-9-8-14-30(32)31-15-10-11-17-33(31)37(34)22-28/h5-26H,1-4H3
InChIKeyVKVSDCBMRKGOAQ-UHFFFAOYSA-N
XLogP10.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.72
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole;propane
CID 144541473
1-[1,3-di(propan-2-yl)naphthalen-2-yl]-2-phenylimidazole
CID 140866303
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
CID 140803144
9-methyl-3-(2-phenylimidazol-1-yl)-2,4-di(propan-2-yl)carbazole
CID 58400859
1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole
CID 58400936
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
4-[5-phenyl-2-(2-phenylimidazol-1-yl)-3-propan-2-ylphenyl]morpholine
CID 140866296
1-(4-methyl-2-propan-2-yldibenzofuran-1-yl)-2-phenylimidazole
CID 140627594
1-[4-methyl-2-(3-methylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole
CID 140706720
7-(2-phenylimidazol-1-yl)-6,8-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 86711088
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
CID 164760359
2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175702

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole?
The IUPAC name of 1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole (CID 140866253) is 1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole?
The canonical SMILES for 1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole is CC(C)c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(C(C)C)c1-n1ccnc1-c1ccccc1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole?
The InChIKey is VKVSDCBMRKGOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N2/c1-25(2)35-23-29(24-36(26(3)4)38(35)41-21-20-40-39(41)27-12-6-5-7-13-27)28-18-19-34-32-16-9-8-14-30(32)31-15-10-11-17-33(31)37(34)22-28/h5-26H,1-4H3.
What are the key properties of 1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole?
1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole has a molecular weight of 530.72 g/mol, XLogP of 10.91, 5 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)-4-triphenylen-2-ylphenyl]-2-phenylimidazole is sourced from PubChem (CID 140866253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).