1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran

C28H22O2 — CID 138662441

IUPAC1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran
SMILESCc1ccc2oc3cc(Cc4cc(C)c5c(c4)oc4ccccc45)ccc3c2c1C
InChIInChI=1S/C28H22O2/c1-16-8-11-24-28(18(16)3)22-10-9-19(14-25(22)30-24)13-20-12-17(2)27-21-6-4-5-7-23(21)29-26(27)15-20/h4-12,14-15H,13H2,1-3H3
InChIKeyIPVUHDKKUMQIER-UHFFFAOYSA-N
MW390.48 g/mol
LogP8.00
Rot. Bonds2

About 1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran

1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran (PubChem CID 138662441) has the molecular formula C28H22O2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran.

Molecular Properties

Compound Name1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran
PubChem CID138662441
Molecular FormulaC28H22O2
Molecular Weight390.48 g/mol
Exact Mass390.16
IUPAC Name1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran
SMILESCc1ccc2oc3cc(Cc4cc(C)c5c(c4)oc4ccccc45)ccc3c2c1C
InChIInChI=1S/C28H22O2/c1-16-8-11-24-28(18(16)3)22-10-9-19(14-25(22)30-24)13-20-12-17(2)27-21-6-4-5-7-23(21)29-26(27)15-20/h4-12,14-15H,13H2,1-3H3
InChIKeyIPVUHDKKUMQIER-UHFFFAOYSA-N
XLogP8.00
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyldibenzofuran
CID 58510747
11-methyl-8-oxatetracyclo[7.6.0.02,7.012,15]pentadeca-1(9),2,4,6,10,12(15)-hexaene-13,14-dione
CID 10728490
1-methyl-3-(7-methyldibenzofuran-3-yl)dibenzofuran
CID 134513522
3-benzyldibenzofuran;hydrazine;methanimine
CID 142504911
9,15-dimethyl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59403826
1,7-diethyldibenzofuran
CID 135251716
17-ethyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17,20-decaene
CID 89117321
2-benzyl-6-methyldibenzofuran
CID 155004540
1-(dibenzofuran-3-ylmethyl)-2-methylhydrazine;hydrochloride
CID 159122805
2-benzylxanthene-9-thione
CID 88726523
5-[10-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;6-[10-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159714513
2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran
CID 159538569

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran?
The IUPAC name of 1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran (CID 138662441) is 1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran.
What is the SMILES notation for 1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran?
The canonical SMILES for 1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran is Cc1ccc2oc3cc(Cc4cc(C)c5c(c4)oc4ccccc45)ccc3c2c1C.
What is the InChIKey of 1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran?
The InChIKey is IPVUHDKKUMQIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2/c1-16-8-11-24-28(18(16)3)22-10-9-19(14-25(22)30-24)13-20-12-17(2)27-21-6-4-5-7-23(21)29-26(27)15-20/h4-12,14-15H,13H2,1-3H3.
What are the key properties of 1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran?
1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran has a molecular weight of 390.48 g/mol, XLogP of 8.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-7-[(1-methyldibenzofuran-3-yl)methyl]dibenzofuran is sourced from PubChem (CID 138662441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).