9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole

C58H31F3N2O2S — CID 163895964

IUPAC9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole
SMILESFc1sc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-c5cccc(-c6ccc7oc8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c7c6)c5)cc4c3c2)c(F)c1F
InChIInChI=1S/C58H31F3N2O2S/c59-55-56(60)58(61)66-57(55)36-16-21-50-42(29-36)41-12-3-6-15-49(41)63(50)38-20-25-54-46(31-38)44-28-35(18-23-52(44)65-54)33-9-7-8-32(26-33)34-17-22-51-43(27-34)45-30-37(19-24-53(45)64-51)62-47-13-4-1-10-39(47)40-11-2-5-14-48(40)62/h1-31H
InChIKeyQFPZLUYREBQIOI-UHFFFAOYSA-N
MW876.96 g/mol
LogP17.16
Rot. Bonds5

About 9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole

9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole (PubChem CID 163895964) has the molecular formula C58H31F3N2O2S and a molecular weight of 876.96 g/mol. Its IUPAC name is 9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole.

Molecular Properties

Compound Name9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole
PubChem CID163895964
Molecular FormulaC58H31F3N2O2S
Molecular Weight876.96 g/mol
Exact Mass876.21
IUPAC Name9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole
SMILESFc1sc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-c5cccc(-c6ccc7oc8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c7c6)c5)cc4c3c2)c(F)c1F
InChIInChI=1S/C58H31F3N2O2S/c59-55-56(60)58(61)66-57(55)36-16-21-50-42(29-36)41-12-3-6-15-49(41)63(50)38-20-25-54-46(31-38)44-28-35(18-23-52(44)65-54)33-9-7-8-32(26-33)34-17-22-51-43(27-34)45-30-37(19-24-53(45)64-51)62-47-13-4-1-10-39(47)40-11-2-5-14-48(40)62/h1-31H
InChIKeyQFPZLUYREBQIOI-UHFFFAOYSA-N
XLogP17.16
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.96
LogP ≤ 517.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,8-Di(9H-carbazol-9-yl)dibenzo[b,d]furan
CID 59348257
2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenylcarbazole-2,7-diamine
CID 23593191
2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-2-N-[4-(trifluoromethyl)phenyl]carbazole-2,7-diamine
CID 23593276
8,21-Difluoro-26-(4-methylphenyl)-13-oxa-5,18-dithia-26-azaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene
CID 58340028
3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
[4-[3-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]carbazol-9-yl]phenyl] trifluoromethanesulfonate
CID 58568917
4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline
CID 66585175
N-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-carbazol-9-yl-N-(4-fluorophenyl)aniline
CID 66585365
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 68230409
9-[8-(6-Carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole
CID 89433789

Frequently Asked Questions

What is the IUPAC name of 9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole?
The IUPAC name of 9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole (CID 163895964) is 9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole.
What is the SMILES notation for 9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole?
The canonical SMILES for 9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole is Fc1sc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-c5cccc(-c6ccc7oc8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c7c6)c5)cc4c3c2)c(F)c1F.
What is the InChIKey of 9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole?
The InChIKey is QFPZLUYREBQIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H31F3N2O2S/c59-55-56(60)58(61)66-57(55)36-16-21-50-42(29-36)41-12-3-6-15-49(41)63(50)38-20-25-54-46(31-38)44-28-35(18-23-52(44)65-54)33-9-7-8-32(26-33)34-17-22-51-43(27-34)45-30-37(19-24-53(45)64-51)62-47-13-4-1-10-39(47)40-11-2-5-14-48(40)62/h1-31H.
What are the key properties of 9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole?
9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole has a molecular weight of 876.96 g/mol, XLogP of 17.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-3-(3,4,5-trifluorothiophen-2-yl)carbazole is sourced from PubChem (CID 163895964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).