1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole

C104H89NO6 — CID 160915463

IUPAC1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccccc1C.Cc1ccc2c(c1)oc1c(C)cccc12.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)oc1ccc(C)cc12.Cc1ccc2c(c1)oc1cccc(C)c12.Cc1cccc2c1oc1c(C)cccc12.Cc1cccc2c1oc1cccc(C)c12
InChIInChI=1S/C20H17N.6C14H12O/c1-14-11-12-20-17(13-14)16-8-4-6-10-19(16)21(20)18-9-5-3-7-15(18)2;1-9-5-4-8-12-13(9)11-7-3-6-10(2)14(11)15-12;1-9-4-6-13-12(7-9)11-5-3-10(2)8-14(11)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11;1-9-6-7-11-13(8-9)15-12-5-3-4-10(2)14(11)12;1-9-6-7-11-12-5-3-4-10(2)14(12)15-13(11)8-9/h3-13H,1-2H3;6*3-8H,1-2H3
InChIKeySRIPHIHPSUQESU-UHFFFAOYSA-N
MW1448.86 g/mol
LogP30.62
Rot. Bonds1

About 1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole

1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole (PubChem CID 160915463) has the molecular formula C104H89NO6 and a molecular weight of 1448.86 g/mol. Its IUPAC name is 1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole.

Molecular Properties

Compound Name1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole
PubChem CID160915463
Molecular FormulaC104H89NO6
Molecular Weight1448.86 g/mol
Exact Mass1447.67
IUPAC Name1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccccc1C.Cc1ccc2c(c1)oc1c(C)cccc12.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)oc1ccc(C)cc12.Cc1ccc2c(c1)oc1cccc(C)c12.Cc1cccc2c1oc1c(C)cccc12.Cc1cccc2c1oc1cccc(C)c12
InChIInChI=1S/C20H17N.6C14H12O/c1-14-11-12-20-17(13-14)16-8-4-6-10-19(16)21(20)18-9-5-3-7-15(18)2;1-9-5-4-8-12-13(9)11-7-3-6-10(2)14(11)15-12;1-9-4-6-13-12(7-9)11-5-3-10(2)8-14(11)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11;1-9-6-7-11-13(8-9)15-12-5-3-4-10(2)14(11)12;1-9-6-7-11-12-5-3-4-10(2)14(12)15-13(11)8-9/h3-13H,1-2H3;6*3-8H,1-2H3
InChIKeySRIPHIHPSUQESU-UHFFFAOYSA-N
XLogP30.62
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001448.86
LogP ≤ 530.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole with MolForge

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Related Compounds

1-methyldibenzofuran;2-methyldibenzofuran;4-methyldibenzofuran
CID 158243493
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
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
bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene
CID 158769902
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
CID 139460855
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole
CID 130359021
5-methylbenzimidazolo[1,2-a]benzimidazole;bis(9-methylcarbazole);2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;toluene
CID 162116737
3,6-dimethyldibenzofuran;ethane
CID 142097287
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole?
The IUPAC name of 1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole (CID 160915463) is 1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole.
What is the SMILES notation for 1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole?
The canonical SMILES for 1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1C.Cc1ccc2c(c1)oc1c(C)cccc12.Cc1ccc2c(c1)oc1cc(C)ccc12.Cc1ccc2c(c1)oc1ccc(C)cc12.Cc1ccc2c(c1)oc1cccc(C)c12.Cc1cccc2c1oc1c(C)cccc12.Cc1cccc2c1oc1cccc(C)c12.
What is the InChIKey of 1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole?
The InChIKey is SRIPHIHPSUQESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N.6C14H12O/c1-14-11-12-20-17(13-14)16-8-4-6-10-19(16)21(20)18-9-5-3-7-15(18)2;1-9-5-4-8-12-13(9)11-7-3-6-10(2)14(11)15-12;1-9-4-6-13-12(7-9)11-5-3-10(2)8-14(11)15-13;1-9-3-5-11-12-6-4-10(2)8-14(12)15-13(11)7-9;1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11;1-9-6-7-11-13(8-9)15-12-5-3-4-10(2)14(11)12;1-9-6-7-11-12-5-3-4-10(2)14(12)15-13(11)8-9/h3-13H,1-2H3;6*3-8H,1-2H3.
What are the key properties of 1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole?
1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole has a molecular weight of 1448.86 g/mol, XLogP of 30.62, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyldibenzofuran;1,7-dimethyldibenzofuran;2,7-dimethyldibenzofuran;3,6-dimethyldibenzofuran;3,7-dimethyldibenzofuran;4,6-dimethyldibenzofuran;3-methyl-9-(2-methylphenyl)carbazole is sourced from PubChem (CID 160915463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).