9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole

C124H78N6OS — CID 157070709

IUPAC9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc(-c5coc6ccccc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc(-c5csc6ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C62H39N3O.C62H39N3S/c2*1-3-13-45(14-4-1)63-56-20-10-7-17-48(56)51-35-41(25-31-58(51)63)43-27-33-60-53(37-43)54-38-44(42-26-32-59-52(36-42)49-18-8-11-21-57(49)64(59)46-15-5-2-6-16-46)28-34-61(54)65(60)47-29-23-40(24-30-47)55-39-66-62-22-12-9-19-50(55)62/h2*1-39H
InChIKeyACJYNZOCKLNJSR-UHFFFAOYSA-N
MW1700.10 g/mol
LogP33.92
Rot. Bonds12

About 9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole

9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 157070709) has the molecular formula C124H78N6OS and a molecular weight of 1700.10 g/mol. Its IUPAC name is 9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID157070709
Molecular FormulaC124H78N6OS
Molecular Weight1700.10 g/mol
Exact Mass1698.60
IUPAC Name9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc(-c5coc6ccccc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc(-c5csc6ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C62H39N3O.C62H39N3S/c2*1-3-13-45(14-4-1)63-56-20-10-7-17-48(56)51-35-41(25-31-58(51)63)43-27-33-60-53(37-43)54-38-44(42-26-32-59-52(36-42)49-18-8-11-21-57(49)64(59)46-15-5-2-6-16-46)28-34-61(54)65(60)47-29-23-40(24-30-47)55-39-66-62-22-12-9-19-50(55)62/h2*1-39H
InChIKeyACJYNZOCKLNJSR-UHFFFAOYSA-N
XLogP33.92
TPSA42.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001700.10
LogP ≤ 533.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole with MolForge

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Related Compounds

3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-(trifluoromethyl)carbazole
CID 134343628
N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716840
N-dibenzothiophen-1-yl-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
CID 138716841
6-Dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
CID 146368869
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135461
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135572
[2-[3-[2,2-Bis(trimethylsilyl)ethyl]-2-tert-butylphenyl]-1-trimethylsilylethyl]-trimethylsilane;bis(1-tert-butylcyclopenta-1,3-diene);[2-[2-tert-butyl-3-[1,1-dideuterio-2,2-bis(trimethylsilyl)ethyl]phenyl]-2,2-dideuterio-1-trimethylsilylethyl]-trimethylsilane;tetrakis(2-tert-butyl-1,3-dimethylbenzene);3-tert-butylfuran;tetrakis(1-tert-butyl-2-methylbenzene);[2-(2-tert-butyl-3-methylphenyl)-2,2-dideuterio-1-trimethylsilylethyl]-trimethylsilane;[2-(2-tert-butyl-3-methylphenyl)-1-trimethylsilylethyl]-trimethylsilane;2-tert-butyl-1-methyl-3-(trifluoromethyl)benzene;1-tert-butyl-9-phenylcarbazole;9-(2-tert-butylphenyl)carbazole;4-tert-butyl-6-phenyldibenzofuran;(2-tert-butylphenyl)-trimethylsilane;3-tert-butylthiophene;1-tert-butyl-2-(trifluoromethyl)benzene;(2-tert-butyl-3-trimethylsilylphenyl)-trimethylsilane;1,2,3,5-tetradeuterio-4-(2,3-ditert-butylphenyl)-6-methylbenzene
CID 157837483
9-(10-Anthracen-9-ylanthracen-9-yl)-11,11-dimethylphenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;11,11-diphenyl-9-[10-[10-(trifluoromethyl)anthracen-9-yl]anthracen-9-yl]phenanthro[1,2-b][1]benzosilole;9-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;9-[10-(4-octylanthracen-9-yl)anthracen-9-yl]-11,11-diphenylphenanthro[1,2-b][1]benzosilole;19-[10-(10-phenanthren-3-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene;3-[10-(10-phenanthro[1,2-b][1]benzothiol-9-ylanthracen-9-yl)anthracen-9-yl]-9-phenylcarbazole
CID 157847024
N-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;8-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]carbazol-9-yl]dibenzofuran-2-carbonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline
CID 157862635
9-Bis(4-fluorophenyl)phosphoryl-14-phenylbenzo[b]triphenylene;9-bis[4-(trifluoromethyl)phenyl]phosphoryl-14-phenylbenzo[b]triphenylene;2-[dibenzofuran-2-yl-(14-phenylbenzo[b]triphenylen-9-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl-(14-phenylbenzo[b]triphenylen-9-yl)phosphoryl]dibenzothiophene;diphenyl-(14-phenylbenzo[b]triphenylen-9-yl)-selanylidene-lambda5-phosphane;diphenyl-(14-phenylbenzo[b]triphenylen-9-yl)-sulfanylidene-lambda5-phosphane;1-(4-diphenylphosphorylphenyl)triphenylene;2-(4-diphenylphosphorylphenyl)triphenylene;9-phenyl-3-[(14-phenylbenzo[b]triphenylen-9-yl)-(9-phenylcarbazol-3-yl)phosphoryl]carbazole
CID 159931758

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (CID 157070709) is 9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc(-c5coc6ccccc56)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc(-c5csc6ccccc56)cc4)ccc32)cc1.
What is the InChIKey of 9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is ACJYNZOCKLNJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3O.C62H39N3S/c2*1-3-13-45(14-4-1)63-56-20-10-7-17-48(56)51-35-41(25-31-58(51)63)43-27-33-60-53(37-43)54-38-44(42-26-32-59-52(36-42)49-18-8-11-21-57(49)64(59)46-15-5-2-6-16-46)28-34-61(54)65(60)47-29-23-40(24-30-47)55-39-66-62-22-12-9-19-50(55)62/h2*1-39H.
What are the key properties of 9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 1700.10 g/mol, XLogP of 33.92, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1-benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 157070709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).