bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole

C70H85NO2S — CID 167619791

IUPACbis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C18H13N.2C12H8O.C12H8S.8C2H6/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;8*1-2/h1-13H;3*1-8H;8*1-2H3
InChIKeyMGUVWMCCPMPXME-UHFFFAOYSA-N
MW1004.52 g/mol
LogP24.22
Rot. Bonds1

About bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole

bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole (PubChem CID 167619791) has the molecular formula C70H85NO2S and a molecular weight of 1004.52 g/mol. Its IUPAC name is bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole.

Molecular Properties

Compound Namebis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole
PubChem CID167619791
Molecular FormulaC70H85NO2S
Molecular Weight1004.52 g/mol
Exact Mass1003.63
IUPAC Namebis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C18H13N.2C12H8O.C12H8S.8C2H6/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;8*1-2/h1-13H;3*1-8H;8*1-2H3
InChIKeyMGUVWMCCPMPXME-UHFFFAOYSA-N
XLogP24.22
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.52
LogP ≤ 524.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;10-phenylacridin-9-one;thioxanthen-9-one;xanthen-9-one
CID 161285651
dibenzothiophene;9-phenylcarbazole
CID 142415981
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
5,11-diphenylindolo[3,2-b]carbazole;11-methyl-[1]benzofuro[3,2-b]carbazole;5-methyl-11-phenylindolo[3,2-b]carbazole;11-phenyl-[1]benzofuro[3,2-b]carbazole;11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 158354854
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009360
3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
CID 90265537
benzene;bis(dibenzofuran);bis(dibenzothiophene);ethane;tetrakis(9-methylcarbazole);toluene
CID 159524203
dibenzofuran;dibenzothiophene;ethane;9-methylcarbazole;propane
CID 158580850
3-dibenzofuran-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 158998789
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 157163023

Frequently Asked Questions

What is the IUPAC name of bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole?
The IUPAC name of bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole (CID 167619791) is bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole.
What is the SMILES notation for bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole?
The canonical SMILES for bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole is CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole?
The InChIKey is MGUVWMCCPMPXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N.2C12H8O.C12H8S.8C2H6/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;8*1-2/h1-13H;3*1-8H;8*1-2H3.
What are the key properties of bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole?
bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole has a molecular weight of 1004.52 g/mol, XLogP of 24.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibenzofuran);dibenzothiophene;ethane;9-phenylcarbazole is sourced from PubChem (CID 167619791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).