9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole

C144H87N3O3S3 — CID 158920444

IUPAC9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2sc2cccc(-c4ccc5c(c4)oc4ccccc45)c23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2sc2cccc(-c4ccc5oc6ccccc6c5c4)c23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2sc2cccc(-c4cccc5c4oc4ccccc45)c23)cc1
InChIInChI=1S/3C48H29NOS/c1-3-12-30(13-4-1)32-24-26-41-39(28-32)40-29-33(31-14-5-2-6-15-31)25-27-42(40)49(41)43-21-10-20-38-46-35(17-11-23-45(46)51-48(38)43)37-19-9-18-36-34-16-7-8-22-44(34)50-47(36)37;1-3-11-30(12-4-1)32-22-25-41-39(27-32)40-28-33(31-13-5-2-6-14-31)23-26-42(40)49(41)43-18-9-17-38-47-35(16-10-20-46(47)51-48(38)43)34-21-24-37-36-15-7-8-19-44(36)50-45(37)29-34;1-3-11-30(12-4-1)32-21-24-41-38(27-32)39-28-33(31-13-5-2-6-14-31)22-25-42(39)49(41)43-18-9-17-37-47-35(16-10-20-46(47)51-48(37)43)34-23-26-45-40(29-34)36-15-7-8-19-44(36)50-45/h3*1-29H
InChIKeyJHTRGSIRFBYFHI-UHFFFAOYSA-N
MW2003.50 g/mol
LogP42.16
Rot. Bonds12

About 9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole

9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole (PubChem CID 158920444) has the molecular formula C144H87N3O3S3 and a molecular weight of 2003.50 g/mol. Its IUPAC name is 9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
PubChem CID158920444
Molecular FormulaC144H87N3O3S3
Molecular Weight2003.50 g/mol
Exact Mass2001.59
IUPAC Name9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2sc2cccc(-c4ccc5c(c4)oc4ccccc45)c23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2sc2cccc(-c4ccc5oc6ccccc6c5c4)c23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2sc2cccc(-c4cccc5c4oc4ccccc45)c23)cc1
InChIInChI=1S/3C48H29NOS/c1-3-12-30(13-4-1)32-24-26-41-39(28-32)40-29-33(31-14-5-2-6-15-31)25-27-42(40)49(41)43-21-10-20-38-46-35(17-11-23-45(46)51-48(38)43)37-19-9-18-36-34-16-7-8-22-44(34)50-47(36)37;1-3-11-30(12-4-1)32-22-25-41-39(27-32)40-28-33(31-13-5-2-6-14-31)23-26-42(40)49(41)43-18-9-17-38-47-35(16-10-20-46(47)51-48(38)43)34-21-24-37-36-15-7-8-19-44(36)50-45(37)29-34;1-3-11-30(12-4-1)32-21-24-41-38(27-32)39-28-33(31-13-5-2-6-14-31)22-25-42(39)49(41)43-18-9-17-37-47-35(16-10-20-46(47)51-48(37)43)34-23-26-45-40(29-34)36-15-7-8-19-44(36)50-45/h3*1-29H
InChIKeyJHTRGSIRFBYFHI-UHFFFAOYSA-N
XLogP42.16
TPSA54.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002003.50
LogP ≤ 542.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole with MolForge

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Related Compounds

9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-dimethylcarbazole
CID 153011872
9-(8-dibenzofuran-1-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-2-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(8-dibenzofuran-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzofuran-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158620921
3-dibenzofuran-3-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-1-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 163517609
9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole
CID 163656757
3-[6-[9-(2-dibenzofuran-3-yl-6-phenyl-4-pyridinyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768798
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenylaniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 159898925
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
3-dibenzofuran-3-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-dibenzofuran-4-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-1-yl-6-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 165110664
9-dibenzofuran-4-yl-3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)carbazole;3-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9-phenylcarbazole;9-[4-[3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenyl]carbazole
CID 165067724
12-[9-(3-phenylphenyl)dibenzothiophen-4-yl]-[1]benzofuro[3,2-a]carbazole
CID 170688666
N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N-phenylaniline;N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 164969143

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole?
The IUPAC name of 9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole (CID 158920444) is 9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole.
What is the SMILES notation for 9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole?
The canonical SMILES for 9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2sc2cccc(-c4ccc5c(c4)oc4ccccc45)c23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2sc2cccc(-c4ccc5oc6ccccc6c5c4)c23)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc3c2sc2cccc(-c4cccc5c4oc4ccccc45)c23)cc1.
What is the InChIKey of 9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole?
The InChIKey is JHTRGSIRFBYFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H29NOS/c1-3-12-30(13-4-1)32-24-26-41-39(28-32)40-29-33(31-14-5-2-6-15-31)25-27-42(40)49(41)43-21-10-20-38-46-35(17-11-23-45(46)51-48(38)43)37-19-9-18-36-34-16-7-8-22-44(34)50-47(36)37;1-3-11-30(12-4-1)32-22-25-41-39(27-32)40-28-33(31-13-5-2-6-14-31)23-26-42(40)49(41)43-18-9-17-38-47-35(16-10-20-46(47)51-48(38)43)34-21-24-37-36-15-7-8-19-44(36)50-45(37)29-34;1-3-11-30(12-4-1)32-21-24-41-38(27-32)39-28-33(31-13-5-2-6-14-31)22-25-42(39)49(41)43-18-9-17-37-47-35(16-10-20-46(47)51-48(37)43)34-23-26-45-40(29-34)36-15-7-8-19-44(36)50-45/h3*1-29H.
What are the key properties of 9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole?
9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole has a molecular weight of 2003.50 g/mol, XLogP of 42.16, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-dibenzofuran-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-3-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzofuran-4-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole is sourced from PubChem (CID 158920444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).