6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane

C58H39N3OS — CID 142569321

IUPAC6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane
SMILESCC.c1ccc(-c2nc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cccc(-c5cccc(-c6cccc7sc8ccccc8c67)c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C56H33N3OS.C2H6/c1-2-14-34(15-3-1)53-44-19-4-7-26-47(44)57-56(58-53)59-48-31-30-37(40-23-12-25-43-41-18-5-8-27-49(41)60-55(40)43)33-46(48)42-24-11-22-39(54(42)59)36-17-10-16-35(32-36)38-21-13-29-51-52(38)45-20-6-9-28-50(45)61-51;1-2/h1-33H;1-2H3
InChIKeyUWVFUFPKFUZRPT-UHFFFAOYSA-N
MW826.04 g/mol
LogP16.69
Rot. Bonds5

About 6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane

6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane (PubChem CID 142569321) has the molecular formula C58H39N3OS and a molecular weight of 826.04 g/mol. Its IUPAC name is 6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane.

Molecular Properties

Compound Name6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane
PubChem CID142569321
Molecular FormulaC58H39N3OS
Molecular Weight826.04 g/mol
Exact Mass825.28
IUPAC Name6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane
SMILESCC.c1ccc(-c2nc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cccc(-c5cccc(-c6cccc7sc8ccccc8c67)c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C56H33N3OS.C2H6/c1-2-14-34(15-3-1)53-44-19-4-7-26-47(44)57-56(58-53)59-48-31-30-37(40-23-12-25-43-41-18-5-8-27-49(41)60-55(40)43)33-46(48)42-24-11-22-39(54(42)59)36-17-10-16-35(32-36)38-21-13-29-51-52(38)45-20-6-9-28-50(45)61-51;1-2/h1-33H;1-2H3
InChIKeyUWVFUFPKFUZRPT-UHFFFAOYSA-N
XLogP16.69
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.04
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568323
1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568439
12-(4-dibenzofuran-4-ylquinazolin-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 71291213
6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole
CID 163840544
4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane
CID 142569467
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
CID 130327449
4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142570823
18-(4-phenylquinazolin-2-yl)-12-[18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaen-21-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11(16),12,14,19,21,23-undecaene
CID 126496214
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568640
26-(4-phenylquinazolin-2-yl)-4,15-dithia-26-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;26-(4-phenylquinazolin-2-yl)-4-oxa-15-thia-26-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 165057098
1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142572129
5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 134252440

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane?
The IUPAC name of 6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane (CID 142569321) is 6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane.
What is the SMILES notation for 6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane?
The canonical SMILES for 6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane is CC.c1ccc(-c2nc(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cccc(-c5cccc(-c6cccc7sc8ccccc8c67)c5)c43)nc3ccccc23)cc1.
What is the InChIKey of 6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane?
The InChIKey is UWVFUFPKFUZRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N3OS.C2H6/c1-2-14-34(15-3-1)53-44-19-4-7-26-47(44)57-56(58-53)59-48-31-30-37(40-23-12-25-43-41-18-5-8-27-49(41)60-55(40)43)33-46(48)42-24-11-22-39(54(42)59)36-17-10-16-35(32-36)38-21-13-29-51-52(38)45-20-6-9-28-50(45)61-51;1-2/h1-33H;1-2H3.
What are the key properties of 6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane?
6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane has a molecular weight of 826.04 g/mol, XLogP of 16.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane is sourced from PubChem (CID 142569321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).