1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran

C160H118O4 — CID 158996284

IUPAC1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran
SMILESCC(C)(C)c1cc(-c2ccccc2)c(-c2oc(-c3cccc(-c4ccccc4)c3)c3ccccc23)c(-c2ccccc2)c1.CC(C)(C)c1ccc(-c2ccccc2)c(-c2oc(-c3cccc(-c4ccccc4)c3)c3ccccc23)c1.c1ccc(-c2cccc(-c3oc(-c4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3oc(-c4cccc5c6ccccc6c6ccccc6c45)c4ccccc34)c2)cc1
InChIInChI=1S/C44H30O.C42H34O.C38H24O.C36H30O/c1-5-16-31(17-6-1)35-24-15-25-36(28-35)43-38-26-13-14-27-39(38)44(45-43)42-40(33-20-9-3-10-21-33)29-37(32-18-7-2-8-19-32)30-41(42)34-22-11-4-12-23-34;1-42(2,3)34-27-37(30-18-9-5-10-19-30)39(38(28-34)31-20-11-6-12-21-31)41-36-25-14-13-24-35(36)40(43-41)33-23-15-22-32(26-33)29-16-7-4-8-17-29;1-2-12-25(13-3-1)26-14-10-15-27(24-26)37-33-20-8-9-21-34(33)38(39-37)35-23-11-22-32-30-17-5-4-16-28(30)29-18-6-7-19-31(29)36(32)35;1-36(2,3)29-21-22-30(26-15-8-5-9-16-26)33(24-29)35-32-20-11-10-19-31(32)34(37-35)28-18-12-17-27(23-28)25-13-6-4-7-14-25/h1-30H;4-28H,1-3H3;1-24H;4-24H,1-3H3
InChIKeyJQTWENCFTOCQOA-UHFFFAOYSA-N
MW2104.70 g/mol
LogP45.79
Rot. Bonds18

About 1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran

1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran (PubChem CID 158996284) has the molecular formula C160H118O4 and a molecular weight of 2104.70 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran
PubChem CID158996284
Molecular FormulaC160H118O4
Molecular Weight2104.70 g/mol
Exact Mass2102.90
IUPAC Name1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran
SMILESCC(C)(C)c1cc(-c2ccccc2)c(-c2oc(-c3cccc(-c4ccccc4)c3)c3ccccc23)c(-c2ccccc2)c1.CC(C)(C)c1ccc(-c2ccccc2)c(-c2oc(-c3cccc(-c4ccccc4)c3)c3ccccc23)c1.c1ccc(-c2cccc(-c3oc(-c4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3oc(-c4cccc5c6ccccc6c6ccccc6c45)c4ccccc34)c2)cc1
InChIInChI=1S/C44H30O.C42H34O.C38H24O.C36H30O/c1-5-16-31(17-6-1)35-24-15-25-36(28-35)43-38-26-13-14-27-39(38)44(45-43)42-40(33-20-9-3-10-21-33)29-37(32-18-7-2-8-19-32)30-41(42)34-22-11-4-12-23-34;1-42(2,3)34-27-37(30-18-9-5-10-19-30)39(38(28-34)31-20-11-6-12-21-31)41-36-25-14-13-24-35(36)40(43-41)33-23-15-22-32(26-33)29-16-7-4-8-17-29;1-2-12-25(13-3-1)26-14-10-15-27(24-26)37-33-20-8-9-21-34(33)38(39-37)35-23-11-22-32-30-17-5-4-16-28(30)29-18-6-7-19-31(29)36(32)35;1-36(2,3)29-21-22-30(26-15-8-5-9-16-26)33(24-29)35-32-20-11-10-19-31(32)34(37-35)28-18-12-17-27(23-28)25-13-6-4-7-14-25/h1-30H;4-28H,1-3H3;1-24H;4-24H,1-3H3
InChIKeyJQTWENCFTOCQOA-UHFFFAOYSA-N
XLogP45.79
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002104.70
LogP ≤ 545.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran with MolForge

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Related Compounds

1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran
CID 156553370
1-(2,3-diphenylphenyl)-3-phenyl-2-benzofuran;1-(2,4-diphenylphenyl)-3-phenyl-2-benzofuran;1-(2,5-diphenylphenyl)-3-phenyl-2-benzofuran;1-(2,6-diphenylphenyl)-3-phenyl-2-benzofuran;1-phenyl-3-(2-phenylphenyl)-2-benzofuran
CID 162013134
2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene
CID 140865935
1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran
CID 156553154
1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
CID 140865937
3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 156553274
2,7-ditert-butyl-9,9-dimethyl-4-[4-(2-phenylphenyl)phenyl]fluorene
CID 58986957
1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
CID 156553641
4-tert-butyl-1,2-diphenylbenzene;sulfane
CID 174786417
3,14-bis[3-tert-butyl-5-(3-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis[5-tert-butyl-2-(2-methylphenyl)phenyl]heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(3-tert-butyl-5-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2,5-diphenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(2-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene;3,14-bis(4-phenylphenyl)heptacyclo[14.11.1.02,15.04,13.06,11.018,23.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaene
CID 158782426
9-[3-phenyl-2-[3-(3-phenylphenyl)-2-benzofuran-1-yl]phenyl]carbazole
CID 156553374
2,7-ditert-butyl-9,9-dimethyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluorene
CID 58986902

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran?
The IUPAC name of 1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran (CID 158996284) is 1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran.
What is the SMILES notation for 1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran?
The canonical SMILES for 1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran is CC(C)(C)c1cc(-c2ccccc2)c(-c2oc(-c3cccc(-c4ccccc4)c3)c3ccccc23)c(-c2ccccc2)c1.CC(C)(C)c1ccc(-c2ccccc2)c(-c2oc(-c3cccc(-c4ccccc4)c3)c3ccccc23)c1.c1ccc(-c2cccc(-c3oc(-c4c(-c5ccccc5)cc(-c5ccccc5)cc4-c4ccccc4)c4ccccc34)c2)cc1.c1ccc(-c2cccc(-c3oc(-c4cccc5c6ccccc6c6ccccc6c45)c4ccccc34)c2)cc1.
What is the InChIKey of 1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran?
The InChIKey is JQTWENCFTOCQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O.C42H34O.C38H24O.C36H30O/c1-5-16-31(17-6-1)35-24-15-25-36(28-35)43-38-26-13-14-27-39(38)44(45-43)42-40(33-20-9-3-10-21-33)29-37(32-18-7-2-8-19-32)30-41(42)34-22-11-4-12-23-34;1-42(2,3)34-27-37(30-18-9-5-10-19-30)39(38(28-34)31-20-11-6-12-21-31)41-36-25-14-13-24-35(36)40(43-41)33-23-15-22-32(26-33)29-16-7-4-8-17-29;1-2-12-25(13-3-1)26-14-10-15-27(24-26)37-33-20-8-9-21-34(33)38(39-37)35-23-11-22-32-30-17-5-4-16-28(30)29-18-6-7-19-31(29)36(32)35;1-36(2,3)29-21-22-30(26-15-8-5-9-16-26)33(24-29)35-32-20-11-10-19-31(32)34(37-35)28-18-12-17-27(23-28)25-13-6-4-7-14-25/h1-30H;4-28H,1-3H3;1-24H;4-24H,1-3H3.
What are the key properties of 1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran?
1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran has a molecular weight of 2104.70 g/mol, XLogP of 45.79, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-diphenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(5-tert-butyl-2-phenylphenyl)-3-(3-phenylphenyl)-2-benzofuran;1-(3-phenylphenyl)-3-triphenylen-1-yl-2-benzofuran;1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran is sourced from PubChem (CID 158996284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).