1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran

C37H22O3 — CID 153447877

IUPAC1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran
SMILESCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)c3oc4ccccc4c23)c2c1oc1ccccc12
InChIInChI=1S/C37H22O3/c1-21-17-18-23(33-28-10-3-6-15-31(28)38-35(21)33)24-19-20-27(37-34(24)29-11-4-7-16-32(29)40-37)26-13-8-12-25-22-9-2-5-14-30(22)39-36(25)26/h2-20H,1H3
InChIKeyAMYYZELXDNGZCV-UHFFFAOYSA-N
MW514.58 g/mol
LogP11.03
Rot. Bonds2

About 1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran

1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran (PubChem CID 153447877) has the molecular formula C37H22O3 and a molecular weight of 514.58 g/mol. Its IUPAC name is 1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran.

Molecular Properties

Compound Name1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran
PubChem CID153447877
Molecular FormulaC37H22O3
Molecular Weight514.58 g/mol
Exact Mass514.16
IUPAC Name1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran
SMILESCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)c3oc4ccccc4c23)c2c1oc1ccccc12
InChIInChI=1S/C37H22O3/c1-21-17-18-23(33-28-10-3-6-15-31(28)38-35(21)33)24-19-20-27(37-34(24)29-11-4-7-16-32(29)40-37)26-13-8-12-25-22-9-2-5-14-30(22)39-36(25)26/h2-20H,1H3
InChIKeyAMYYZELXDNGZCV-UHFFFAOYSA-N
XLogP11.03
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.58
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-dibenzofuran-4-yl-4-(1-methyldibenzofuran-4-yl)dibenzofuran
CID 153447937
2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741910
2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078421
1-(4-methylphenyl)dibenzofuran;3-(4-methylphenyl)dibenzofuran;3-methyl-7-phenyldibenzofuran;4-methyl-1-phenyldibenzofuran;4-(2-methylphenyl)dibenzofuran;4-(3-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzofuran
CID 160682962
1-dibenzofuran-4-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 153447940
2-[4-[1-(1-dibenzofuran-4-yldibenzofuran-4-yl)dibenzofuran-4-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 149342660
2,4-diphenyl-6-[6-(4-phenyldibenzofuran-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378330
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 157084130
4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158177029
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 155077744
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078432
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922

Frequently Asked Questions

What is the IUPAC name of 1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran?
The IUPAC name of 1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran (CID 153447877) is 1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran.
What is the SMILES notation for 1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran?
The canonical SMILES for 1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran is Cc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)c3oc4ccccc4c23)c2c1oc1ccccc12.
What is the InChIKey of 1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran?
The InChIKey is AMYYZELXDNGZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22O3/c1-21-17-18-23(33-28-10-3-6-15-31(28)38-35(21)33)24-19-20-27(37-34(24)29-11-4-7-16-32(29)40-37)26-13-8-12-25-22-9-2-5-14-30(22)39-36(25)26/h2-20H,1H3.
What are the key properties of 1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran?
1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran has a molecular weight of 514.58 g/mol, XLogP of 11.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran is sourced from PubChem (CID 153447877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).