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

C47H38N2O — CID 171051613

IUPAC1-[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
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1cccc2c1oc1cc3cc(-c4ccccc4)c4ccccc4c3cc12
InChIInChI=1S/C47H38N2O/c1-29(2)39-24-33(31-14-7-5-8-15-31)25-40(30(3)4)45(39)49-23-22-48-47(49)38-21-13-20-37-43-28-42-34(27-44(43)50-46(37)38)26-41(32-16-9-6-10-17-32)35-18-11-12-19-36(35)42/h5-30H,1-4H3
InChIKeyGTLKLKKTUCYSPV-UHFFFAOYSA-N
MW646.83 g/mol
LogP13.33
Rot. Bonds6

About 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

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 (PubChem CID 171051613) has the molecular formula C47H38N2O and a molecular weight of 646.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID171051613
Molecular FormulaC47H38N2O
Molecular Weight646.83 g/mol
Exact Mass646.30
IUPAC Name1-[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
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1cccc2c1oc1cc3cc(-c4ccccc4)c4ccccc4c3cc12
InChIInChI=1S/C47H38N2O/c1-29(2)39-24-33(31-14-7-5-8-15-31)25-40(30(3)4)45(39)49-23-22-48-47(49)38-21-13-20-37-43-28-42-34(27-44(43)50-46(37)38)26-41(32-16-9-6-10-17-32)35-18-11-12-19-36(35)42/h5-30H,1-4H3
InChIKeyGTLKLKKTUCYSPV-UHFFFAOYSA-N
XLogP13.33
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.83
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
CID 164760359
2-dibenzofuran-4-yl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyrazine
CID 164825026
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(10,14,21-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-8-yl)benzimidazole
CID 168799242
5-methyl-2-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaen-8-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624338
1-[2,6-di(propan-2-yl)-4-triphenylen-2-ylphenyl]-2-phenylimidazole
CID 140866253
2-dibenzofuran-4-yl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]isoquinoline
CID 164824560
2-(3-methyl-2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-8-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 168844931
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-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole
CID 58400936
1-methoxy-9-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-[1]benzofuro[3,2-g]isoquinoline
CID 176823620
1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yldibenzofuran-4-yl)benzimidazole
CID 156659271

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1ccnc1-c1cccc2c1oc1cc3cc(-c4ccccc4)c4ccccc4c3cc12.
What is the InChIKey of 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?
The InChIKey is GTLKLKKTUCYSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N2O/c1-29(2)39-24-33(31-14-7-5-8-15-31)25-40(30(3)4)45(39)49-23-22-48-47(49)38-21-13-20-37-43-28-42-34(27-44(43)50-46(37)38)26-41(32-16-9-6-10-17-32)35-18-11-12-19-36(35)42/h5-30H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 646.83 g/mol, XLogP of 13.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171051613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).