1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole

C35H29FN2O — CID 162776925

IUPAC1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(F)ccc23)nc2ccc3ccccc3c21
InChIInChI=1S/C35H29FN2O/c1-20(2)24-11-7-12-25(21(3)4)32(24)38-33-26-10-6-5-9-22(26)15-18-30(33)37-35(38)29-14-8-13-28-27-17-16-23(36)19-31(27)39-34(28)29/h5-21H,1-4H3
InChIKeyKGFHTSMYODQIAX-UHFFFAOYSA-N
MW512.63 g/mol
LogP10.13
Rot. Bonds4

About 1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole

1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole (PubChem CID 162776925) has the molecular formula C35H29FN2O and a molecular weight of 512.63 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole
PubChem CID162776925
Molecular FormulaC35H29FN2O
Molecular Weight512.63 g/mol
Exact Mass512.23
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole
SMILESCC(C)c1cccc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(F)ccc23)nc2ccc3ccccc3c21
InChIInChI=1S/C35H29FN2O/c1-20(2)24-11-7-12-25(21(3)4)32(24)38-33-26-10-6-5-9-22(26)15-18-30(33)37-35(38)29-14-8-13-28-27-17-16-23(36)19-31(27)39-34(28)29/h5-21H,1-4H3
InChIKeyKGFHTSMYODQIAX-UHFFFAOYSA-N
XLogP10.13
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.63
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]dibenzofuran-3-yl]-trimethylsilane
CID 170931382
1-[2,6-di(propan-2-yl)phenyl]-2-(7-phenyldibenzofuran-4-yl)benzimidazole
CID 162776703
2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176624347
2-[7-(2-deuteriopropan-2-yl)dibenzofuran-4-yl]-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176751448
1-[4-(3,5-ditert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-7-fluoro-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)benzimidazole
CID 176817407
1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
CID 170931396
2-phenanthro[1,2-b][1]benzofuran-10-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 156659584
2-dibenzofuran-4-yl-1-[2,6-di(propan-2-yl)phenyl]-5-methylimidazo[4,5-c]isoquinoline
CID 164825397
6-tert-butyl-18-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazol-2-yl]-7,20-dioxa-5,12-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaene
CID 177270858
trimethyl-[4-(2-naphtho[1,2-b][1]benzofuran-10-ylbenzimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]silane
CID 176583988
1-[4-methyl-2,6-di(propan-2-yl)phenyl]-2-(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)benzimidazole
CID 156657597
2-(7-cyclohexyldibenzofuran-4-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole
CID 176784424

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole (CID 162776925) is 1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole is CC(C)c1cccc(C(C)C)c1-n1c(-c2cccc3c2oc2cc(F)ccc23)nc2ccc3ccccc3c21.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole?
The InChIKey is KGFHTSMYODQIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29FN2O/c1-20(2)24-11-7-12-25(21(3)4)32(24)38-33-26-10-6-5-9-22(26)15-18-30(33)37-35(38)29-14-8-13-28-27-17-16-23(36)19-31(27)39-34(28)29/h5-21H,1-4H3.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole?
1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole has a molecular weight of 512.63 g/mol, XLogP of 10.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-2-(7-fluorodibenzofuran-4-yl)benzo[e]benzimidazole is sourced from PubChem (CID 162776925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).