1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran

C114H84O6 — CID 158698987

IUPAC1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran
SMILESCc1ccc2c(c1)oc1ccc(-c3ccccc3)cc12.Cc1ccc2oc3ccc(-c4ccccc4)cc3c2c1.Cc1cccc2c1oc1ccc(-c3ccccc3)cc12.Cc1cccc2c1oc1cccc(-c3ccccc3)c12.Cc1cccc2oc3cc(-c4ccccc4)ccc3c12.Cc1cccc2oc3ccc(-c4ccccc4)cc3c12
InChIInChI=1S/6C19H14O/c1-13-7-5-11-16-18-15(14-8-3-2-4-9-14)10-6-12-17(18)20-19(13)16;1-13-6-5-9-18-19(13)16-12-15(10-11-17(16)20-18)14-7-3-2-4-8-14;1-13-6-5-9-17-19(13)16-11-10-15(12-18(16)20-17)14-7-3-2-4-8-14;1-13-6-5-9-16-17-12-15(14-7-3-2-4-8-14)10-11-18(17)20-19(13)16;1-13-7-9-18-16(11-13)17-12-15(8-10-19(17)20-18)14-5-3-2-4-6-14;1-13-7-9-16-17-12-15(14-5-3-2-4-6-14)8-10-18(17)20-19(16)11-13/h6*2-12H,1H3
InChIKeyIHHIRODQQGZASU-UHFFFAOYSA-N
MW1549.92 g/mol
LogP33.37
Rot. Bonds6

About 1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran

1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran (PubChem CID 158698987) has the molecular formula C114H84O6 and a molecular weight of 1549.92 g/mol. Its IUPAC name is 1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran.

Molecular Properties

Compound Name1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran
PubChem CID158698987
Molecular FormulaC114H84O6
Molecular Weight1549.92 g/mol
Exact Mass1548.63
IUPAC Name1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran
SMILESCc1ccc2c(c1)oc1ccc(-c3ccccc3)cc12.Cc1ccc2oc3ccc(-c4ccccc4)cc3c2c1.Cc1cccc2c1oc1ccc(-c3ccccc3)cc12.Cc1cccc2c1oc1cccc(-c3ccccc3)c12.Cc1cccc2oc3cc(-c4ccccc4)ccc3c12.Cc1cccc2oc3ccc(-c4ccccc4)cc3c12
InChIInChI=1S/6C19H14O/c1-13-7-5-11-16-18-15(14-8-3-2-4-9-14)10-6-12-17(18)20-19(13)16;1-13-6-5-9-18-19(13)16-12-15(10-11-17(16)20-18)14-7-3-2-4-8-14;1-13-6-5-9-17-19(13)16-11-10-15(12-18(16)20-17)14-7-3-2-4-8-14;1-13-6-5-9-16-17-12-15(14-7-3-2-4-8-14)10-11-18(17)20-19(13)16;1-13-7-9-18-16(11-13)17-12-15(8-10-19(17)20-18)14-5-3-2-4-6-14;1-13-7-9-16-17-12-15(14-5-3-2-4-6-14)8-10-18(17)20-19(16)11-13/h6*2-12H,1H3
InChIKeyIHHIRODQQGZASU-UHFFFAOYSA-N
XLogP33.37
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001549.92
LogP ≤ 533.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-phenyldibenzofuran;1-methyl-6-phenyldibenzofuran;2-(4-methylphenyl)dibenzofuran;2-methyl-4-phenyldibenzofuran;2-methyl-6-phenyldibenzofuran;3-methyl-4-phenyldibenzofuran;3-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzofuran
CID 158562834
1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene;1,3,5-trimethylbenzene
CID 159402641
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
CID 139460855
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-(4-triphenylen-2-ylphenyl)dibenzofuran;2-(4-triphenylen-2-ylphenyl)dibenzofuran;3-(3-triphenylen-2-ylphenyl)dibenzofuran;3-(4-triphenylen-2-ylphenyl)dibenzofuran;4-(4-triphenylen-2-ylphenyl)dibenzofuran
CID 160897706
2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157361535
bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene
CID 158769902
2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine
CID 163821422
2-[7-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[7-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 165045497
2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 167655818
2,8-diethyldibenzofuran;3,7-diethyldibenzofuran;1,6-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,7-dimethyldibenzofuran;2,8-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran
CID 159327549

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran?
The IUPAC name of 1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran (CID 158698987) is 1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran.
What is the SMILES notation for 1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran?
The canonical SMILES for 1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran is Cc1ccc2c(c1)oc1ccc(-c3ccccc3)cc12.Cc1ccc2oc3ccc(-c4ccccc4)cc3c2c1.Cc1cccc2c1oc1ccc(-c3ccccc3)cc12.Cc1cccc2c1oc1cccc(-c3ccccc3)c12.Cc1cccc2oc3cc(-c4ccccc4)ccc3c12.Cc1cccc2oc3ccc(-c4ccccc4)cc3c12.
What is the InChIKey of 1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran?
The InChIKey is IHHIRODQQGZASU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C19H14O/c1-13-7-5-11-16-18-15(14-8-3-2-4-9-14)10-6-12-17(18)20-19(13)16;1-13-6-5-9-18-19(13)16-12-15(10-11-17(16)20-18)14-7-3-2-4-8-14;1-13-6-5-9-17-19(13)16-11-10-15(12-18(16)20-17)14-7-3-2-4-8-14;1-13-6-5-9-16-17-12-15(14-7-3-2-4-8-14)10-11-18(17)20-19(13)16;1-13-7-9-18-16(11-13)17-12-15(8-10-19(17)20-18)14-5-3-2-4-6-14;1-13-7-9-16-17-12-15(14-5-3-2-4-6-14)8-10-18(17)20-19(16)11-13/h6*2-12H,1H3.
What are the key properties of 1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran?
1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran has a molecular weight of 1549.92 g/mol, XLogP of 33.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-phenyldibenzofuran;1-methyl-8-phenyldibenzofuran;2-methyl-8-phenyldibenzofuran;6-methyl-1-phenyldibenzofuran;6-methyl-2-phenyldibenzofuran;7-methyl-2-phenyldibenzofuran is sourced from PubChem (CID 158698987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).