2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane

C144H202N2O4S2 — CID 157493417

IUPAC2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.Cc1cccc2c1oc1c(C)cccc12.Cc1cccc2c1sc1c(C)cccc12.c1ccc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/2C24H17NO.2C14H12O.2C14H12S.20C2H6/c1-3-10-18(11-4-1)25(19-12-5-2-6-13-19)22-16-9-15-21-20-14-7-8-17-23(20)26-24(21)22;1-3-9-18(10-4-1)25(19-11-5-2-6-12-19)20-15-16-24-22(17-20)21-13-7-8-14-23(21)26-24;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11;20*1-2/h2*1-17H;4*3-8H,1-2H3;20*1-2H3
InChIKeyBXNUDRWQIAUKSJ-UHFFFAOYSA-N
MW2089.34 g/mol
LogP52.38
Rot. Bonds6

About 2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane

2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane (PubChem CID 157493417) has the molecular formula C144H202N2O4S2 and a molecular weight of 2089.34 g/mol. Its IUPAC name is 2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane.

Molecular Properties

Compound Name2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane
PubChem CID157493417
Molecular FormulaC144H202N2O4S2
Molecular Weight2089.34 g/mol
Exact Mass2087.51
IUPAC Name2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.Cc1cccc2c1oc1c(C)cccc12.Cc1cccc2c1sc1c(C)cccc12.c1ccc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/2C24H17NO.2C14H12O.2C14H12S.20C2H6/c1-3-10-18(11-4-1)25(19-12-5-2-6-13-19)22-16-9-15-21-20-14-7-8-17-23(20)26-24(21)22;1-3-9-18(10-4-1)25(19-11-5-2-6-12-19)20-15-16-24-22(17-20)21-13-7-8-14-23(21)26-24;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11;20*1-2/h2*1-17H;4*3-8H,1-2H3;20*1-2H3
InChIKeyBXNUDRWQIAUKSJ-UHFFFAOYSA-N
XLogP52.38
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002089.34
LogP ≤ 552.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane with MolForge

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Related Compounds

4-N,6-N-diphenyl-4-N-[8-(N-phenylanilino)dibenzofuran-2-yl]-6-N-[8-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-4,6-diamine
CID 145264520
6-N,12-N-bis(8-methyldibenzofuran-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(8-methyldibenzothiophen-2-yl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-4-yl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 161152265
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
1-methyldibenzofuran;2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;3-methyldibenzothiophene;4-methyldibenzothiophene;1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine;1-N-(4-methylphenyl)-1-N,4-N,4-N-trinaphthalen-2-ylbenzene-1,4-diamine
CID 158687855
5-N,19-N-di(dibenzofuran-2-yl)-5-N,19-N-di(dibenzofuran-4-yl)-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaene-5,19-diamine
CID 146494248
bis(1-methyldibenzofuran);bis(2-methyldibenzofuran);3-methyldibenzofuran;4-methyldibenzofuran;4-methyldibenzothiophene;toluene
CID 158769902
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)-N-triphenylen-2-yldibenzofuran-4-amine
CID 146494934
3-N-dibenzothiophen-3-yl-3-N,6-N,6-N-triphenyldibenzofuran-3,6-diamine
CID 146574170
N-(4-methylphenyl)-N-naphtho[2,1-b][1]benzothiol-9-yldibenzofuran-4-amine
CID 90263564
8-(8-dibenzofuran-2-yldibenzothiophen-1-yl)-N,N-diphenyldibenzofuran-4-amine
CID 174244486
1-N,3-N-bis(3-methylphenyl)-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]benzene-1,3,5-triamine;5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenyl-5-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;3-N-(4-dibenzothiophen-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)-3-N-triphenylen-2-ylbenzene-1,3,5-triamine;1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenyl-5-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]benzene-1,3,5-triamine;1-N,3-N,5-N-triphenyl-3-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 160604372

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane?
The IUPAC name of 2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane (CID 157493417) is 2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane.
What is the SMILES notation for 2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane?
The canonical SMILES for 2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2oc3ccc(C)cc3c2c1.Cc1ccc2sc3ccc(C)cc3c2c1.Cc1cccc2c1oc1c(C)cccc12.Cc1cccc2c1sc1c(C)cccc12.c1ccc(N(c2ccccc2)c2ccc3oc4ccccc4c3c2)cc1.c1ccc(N(c2ccccc2)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane?
The InChIKey is BXNUDRWQIAUKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H17NO.2C14H12O.2C14H12S.20C2H6/c1-3-10-18(11-4-1)25(19-12-5-2-6-13-19)22-16-9-15-21-20-14-7-8-17-23(20)26-24(21)22;1-3-9-18(10-4-1)25(19-11-5-2-6-12-19)20-15-16-24-22(17-20)21-13-7-8-14-23(21)26-24;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14(12)15-13;1-9-5-3-7-11-12-8-4-6-10(2)14(12)15-13(9)11;20*1-2/h2*1-17H;4*3-8H,1-2H3;20*1-2H3.
What are the key properties of 2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane?
2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane has a molecular weight of 2089.34 g/mol, XLogP of 52.38, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyldibenzofuran;4,6-dimethyldibenzofuran;2,8-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;N,N-diphenyldibenzofuran-2-amine;N,N-diphenyldibenzofuran-4-amine;ethane is sourced from PubChem (CID 157493417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).