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

C129H108O4 — CID 159402641

IUPAC1-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
SMILESCc1cc(C)cc(C)c1.Cc1ccc(-c2ccccc2)c2ccccc12.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2cc(-c3ccccc3)ccc2c1.Cc1ccc2ccc(-c3ccccc3)cc2c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc2c(-c3ccccc3)cccc12.Cc1cccc2c1oc1ccccc12.Cc1cccc2oc3ccccc3c12
InChIInChI=1S/4C17H14.4C13H10O.C9H12/c1-13-7-5-12-17-15(13)10-6-11-16(17)14-8-3-2-4-9-14;1-13-11-12-16(14-7-3-2-4-8-14)17-10-6-5-9-15(13)17;1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14;1-13-7-8-15-9-10-16(12-17(15)11-13)14-5-3-2-4-6-14;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-7-4-8(2)6-9(3)5-7/h4*2-12H,1H3;4*2-8H,1H3;4-6H,1-3H3
InChIKeyLNNTXJDKRXJOCK-UHFFFAOYSA-N
MW1722.28 g/mol
LogP37.45
Rot. Bonds4

About 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

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 (PubChem CID 159402641) has the molecular formula C129H108O4 and a molecular weight of 1722.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159402641
Molecular FormulaC129H108O4
Molecular Weight1722.28 g/mol
Exact Mass1720.82
IUPAC Name1-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
SMILESCc1cc(C)cc(C)c1.Cc1ccc(-c2ccccc2)c2ccccc12.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2cc(-c3ccccc3)ccc2c1.Cc1ccc2ccc(-c3ccccc3)cc2c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc2c(-c3ccccc3)cccc12.Cc1cccc2c1oc1ccccc12.Cc1cccc2oc3ccccc3c12
InChIInChI=1S/4C17H14.4C13H10O.C9H12/c1-13-7-5-12-17-15(13)10-6-11-16(17)14-8-3-2-4-9-14;1-13-11-12-16(14-7-3-2-4-8-14)17-10-6-5-9-15(13)17;1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14;1-13-7-8-15-9-10-16(12-17(15)11-13)14-5-3-2-4-6-14;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-7-4-8(2)6-9(3)5-7/h4*2-12H,1H3;4*2-8H,1H3;4-6H,1-3H3
InChIKeyLNNTXJDKRXJOCK-UHFFFAOYSA-N
XLogP37.45
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001722.28
LogP ≤ 537.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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-methylanthracene;9-methylanthracene;1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene
CID 159841875
1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;toluene
CID 161062609
1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 162103415
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
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-4-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163481870
bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene
CID 158769902
2-dibenzofuran-4-yl-4-(8-methylnaphtho[2,1-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 163589467
2-[4-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[2-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran;3-[3-[6-(4-methylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 159977483

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)cc(C)c1.Cc1ccc(-c2ccccc2)c2ccccc12.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2cc(-c3ccccc3)ccc2c1.Cc1ccc2ccc(-c3ccccc3)cc2c1.Cc1ccc2oc3ccccc3c2c1.Cc1cccc2c(-c3ccccc3)cccc12.Cc1cccc2c1oc1ccccc12.Cc1cccc2oc3ccccc3c12.
What is the InChIKey of 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?
The InChIKey is LNNTXJDKRXJOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H14.4C13H10O.C9H12/c1-13-7-5-12-17-15(13)10-6-11-16(17)14-8-3-2-4-9-14;1-13-11-12-16(14-7-3-2-4-8-14)17-10-6-5-9-15(13)17;1-13-7-8-17-12-16(10-9-15(17)11-13)14-5-3-2-4-6-14;1-13-7-8-15-9-10-16(12-17(15)11-13)14-5-3-2-4-6-14;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-7-4-8(2)6-9(3)5-7/h4*2-12H,1H3;4*2-8H,1H3;4-6H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1722.28 g/mol, XLogP of 37.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159402641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).