3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane

C63H48N2OS — CID 155691039

IUPAC3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane
SMILESC/C=C\c1sc2c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8c7oc7ccccc78)cc6)ccc54)cc3)cccc2c1CC.CC
InChIInChI=1S/C61H42N2OS.C2H6/c1-3-13-59-44(4-2)51-20-12-18-46(61(51)65-59)39-26-32-43(33-27-39)63-55-22-9-6-15-48(55)53-37-41(29-35-57(53)63)40-28-34-56-52(36-40)47-14-5-8-21-54(47)62(56)42-30-24-38(25-31-42)45-17-11-19-50-49-16-7-10-23-58(49)64-60(45)50;1-2/h3,5-37H,4H2,1-2H3;1-2H3/b13-3-;
InChIKeyVLHPJIFKBCZIKA-OUPYKXEUSA-N
MW881.16 g/mol
LogP18.62
Rot. Bonds7

About 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane

3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane (PubChem CID 155691039) has the molecular formula C63H48N2OS and a molecular weight of 881.16 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane.

Molecular Properties

Compound Name3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane
PubChem CID155691039
Molecular FormulaC63H48N2OS
Molecular Weight881.16 g/mol
Exact Mass880.35
IUPAC Name3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane
SMILESC/C=C\c1sc2c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8c7oc7ccccc78)cc6)ccc54)cc3)cccc2c1CC.CC
InChIInChI=1S/C61H42N2OS.C2H6/c1-3-13-59-44(4-2)51-20-12-18-46(61(51)65-59)39-26-32-43(33-27-39)63-55-22-9-6-15-48(55)53-37-41(29-35-57(53)63)40-28-34-56-52(36-40)47-14-5-8-21-54(47)62(56)42-30-24-38(25-31-42)45-17-11-19-50-49-16-7-10-23-58(49)64-60(45)50;1-2/h3,5-37H,4H2,1-2H3;1-2H3/b13-3-;
InChIKeyVLHPJIFKBCZIKA-OUPYKXEUSA-N
XLogP18.62
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.16
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Biphenyl-4-yl-(3'-carbazol-9-yl-biphenyl-4-yl)-(4-dibenzofuran-4-yl-phenyl)-amine
CID 118952247
3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
[4-[3-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]carbazol-9-yl]phenyl] trifluoromethanesulfonate
CID 58568917
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 68230151
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-4-phenylaniline
CID 68230295
N-(4-dibenzofuran-4-ylphenyl)-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 89531451
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
CID 90194020
N-(4-dibenzofuran-3-ylphenyl)-4-(4-fluorophenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 90194085
[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl] trifluoromethanesulfonate
CID 117976152
[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl] trifluoromethanesulfonate
CID 117976160
3-Dibenzofuran-2-yl-9-[4-[3-[3-[3-(4-fluorophenyl)phenyl]phenyl]phenyl]-2,6-dimethylphenyl]carbazole
CID 118488388

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane?
The IUPAC name of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane (CID 155691039) is 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane.
What is the SMILES notation for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane?
The canonical SMILES for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane is C/C=C\c1sc2c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8c7oc7ccccc78)cc6)ccc54)cc3)cccc2c1CC.CC.
What is the InChIKey of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane?
The InChIKey is VLHPJIFKBCZIKA-OUPYKXEUSA-N. The full InChI is InChI=1S/C61H42N2OS.C2H6/c1-3-13-59-44(4-2)51-20-12-18-46(61(51)65-59)39-26-32-43(33-27-39)63-55-22-9-6-15-48(55)53-37-41(29-35-57(53)63)40-28-34-56-52(36-40)47-14-5-8-21-54(47)62(56)42-30-24-38(25-31-42)45-17-11-19-50-49-16-7-10-23-58(49)64-60(45)50;1-2/h3,5-37H,4H2,1-2H3;1-2H3/b13-3-;.
What are the key properties of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane?
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane has a molecular weight of 881.16 g/mol, XLogP of 18.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[3-ethyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]carbazole;ethane is sourced from PubChem (CID 155691039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).