9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole

C78H44N2O2S2 — CID 58038561

IUPAC9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole
SMILESc1cc(-c2ccc3oc4ccc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c3c2)cc(-c2ccc3sc4ccc(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c3c2)c1
InChIInChI=1S/C78H44N2O2S2/c1-5-16-67-55(12-1)56-13-2-6-17-68(56)79(67)53-26-31-74-62(43-53)61-39-49(22-30-73(61)82-74)48-21-29-72-60(38-48)59-37-47(20-28-71(59)81-72)45-10-9-11-46(36-45)50-23-32-75-63(40-50)64-41-51(24-33-76(64)83-75)52-25-34-77-65(42-52)66-44-54(27-35-78(66)84-77)80-69-18-7-3-14-57(69)58-15-4-8-19-70(58)80/h1-44H
InChIKeyMGIJSHLVHYGHDL-UHFFFAOYSA-N
MW1105.36 g/mol
LogP23.08
Rot. Bonds6

About 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole

9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole (PubChem CID 58038561) has the molecular formula C78H44N2O2S2 and a molecular weight of 1105.36 g/mol. Its IUPAC name is 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole
PubChem CID58038561
Molecular FormulaC78H44N2O2S2
Molecular Weight1105.36 g/mol
Exact Mass1104.28
IUPAC Name9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole
SMILESc1cc(-c2ccc3oc4ccc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c3c2)cc(-c2ccc3sc4ccc(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c3c2)c1
InChIInChI=1S/C78H44N2O2S2/c1-5-16-67-55(12-1)56-13-2-6-17-68(56)79(67)53-26-31-74-62(43-53)61-39-49(22-30-73(61)82-74)48-21-29-72-60(38-48)59-37-47(20-28-71(59)81-72)45-10-9-11-46(36-45)50-23-32-75-63(40-50)64-41-51(24-33-76(64)83-75)52-25-34-77-65(42-52)66-44-54(27-35-78(66)84-77)80-69-18-7-3-14-57(69)58-15-4-8-19-70(58)80/h1-44H
InChIKeyMGIJSHLVHYGHDL-UHFFFAOYSA-N
XLogP23.08
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.36
LogP ≤ 523.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,8-Di(9H-carbazol-9-yl)dibenzo[b,d]furan
CID 59348257
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
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
9-[8-(9-Fluorodibenzofuran-2-yl)dibenzofuran-2-yl]carbazole
CID 121420191
11-[6-(2,3,5,6-Tetrafluorophenyl)dibenzothiophen-4-yl]-[1]benzofuro[3,2-b]carbazole
CID 122435450
29-(4-Carbazol-9-ylphenyl)-6,21-difluoro-9-oxa-18-thia-29-azaoctacyclo[24.2.1.02,10.03,8.012,28.015,27.017,25.019,24]nonacosa-1(28),2(10),3(8),4,6,11,13,15,17(25),19(24),20,22,26-tridecaene
CID 130382005
21-Phenyl-6-[4-(5,14,23-trifluoro-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaen-18-yl)phenyl]-18-oxa-9-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12,14,16,19,22,24,26-dodecaene
CID 134232976
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
Pentafluoro-[9-[8-(3-methylcarbazol-9-yl)dibenzofuran-2-yl]carbazol-3-yl]-lambda6-sulfane
CID 134337726
9-(8-Carbazol-9-yldibenzofuran-2-yl)-3-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole
CID 134343512
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-(trifluoromethyl)carbazole
CID 134343628

Frequently Asked Questions

What is the IUPAC name of 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole (CID 58038561) is 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole is c1cc(-c2ccc3oc4ccc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c3c2)cc(-c2ccc3sc4ccc(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c3c2)c1.
What is the InChIKey of 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole?
The InChIKey is MGIJSHLVHYGHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H44N2O2S2/c1-5-16-67-55(12-1)56-13-2-6-17-68(56)79(67)53-26-31-74-62(43-53)61-39-49(22-30-73(61)82-74)48-21-29-72-60(38-48)59-37-47(20-28-71(59)81-72)45-10-9-11-46(36-45)50-23-32-75-63(40-50)64-41-51(24-33-76(64)83-75)52-25-34-77-65(42-52)66-44-54(27-35-78(66)84-77)80-69-18-7-3-14-57(69)58-15-4-8-19-70(58)80/h1-44H.
What are the key properties of 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole?
9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole has a molecular weight of 1105.36 g/mol, XLogP of 23.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]phenyl]dibenzothiophen-2-yl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 58038561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).