7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

C60H34N2O2S — CID 134223327

IUPAC7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc(-c5cccc7c5sc5ccccc57)cc4)oc4ccccc46)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C60H34N2O2S/c1-2-11-38(12-3-1)61-51-27-23-36(29-45(51)47-31-49-41-13-4-7-18-55(41)63-57(49)33-53(47)61)37-24-28-52-46(30-37)48-32-50-42-14-5-8-19-56(42)64-58(50)34-54(48)62(52)39-25-21-35(22-26-39)40-16-10-17-44-43-15-6-9-20-59(43)65-60(40)44/h1-34H
InChIKeyVGOTXJMPXDTHGZ-UHFFFAOYSA-N
MW847.01 g/mol
LogP17.38
Rot. Bonds4

About 7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223327) has the molecular formula C60H34N2O2S and a molecular weight of 847.01 g/mol. Its IUPAC name is 7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID134223327
Molecular FormulaC60H34N2O2S
Molecular Weight847.01 g/mol
Exact Mass846.23
IUPAC Name7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc(-c5cccc7c5sc5ccccc57)cc4)oc4ccccc46)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C60H34N2O2S/c1-2-11-38(12-3-1)61-51-27-23-36(29-45(51)47-31-49-41-13-4-7-18-55(41)63-57(49)33-53(47)61)37-24-28-52-46(30-37)48-32-50-42-14-5-8-19-56(42)64-58(50)34-54(48)62(52)39-25-21-35(22-26-39)40-16-10-17-44-43-15-6-9-20-59(43)65-60(40)44/h1-34H
InChIKeyVGOTXJMPXDTHGZ-UHFFFAOYSA-N
XLogP17.38
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.01
LogP ≤ 517.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-7-(4-dibenzothiophen-4-ylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 126579968
3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799
3-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(2-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 167557887
[4-[3-(9-dibenzofuran-3-ylcarbazol-2-yl)carbazol-9-yl]phenyl]-trimethylsilane;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 157100494
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 90050891
3-dibenzofuran-2-yl-6-dibenzofuran-4-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 137474285
3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170135119
10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009360
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
5-(4-dibenzofuran-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(4-dibenzothiophen-4-ylphenyl)-3-phenyl-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 159515126
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole (CID 134223327) is 7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc(-c5cccc7c5sc5ccccc57)cc4)oc4ccccc46)cc3c3cc4c(cc32)oc2ccccc24)cc1.
What is the InChIKey of 7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is VGOTXJMPXDTHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H34N2O2S/c1-2-11-38(12-3-1)61-51-27-23-36(29-45(51)47-31-49-41-13-4-7-18-55(41)63-57(49)33-53(47)61)37-24-28-52-46(30-37)48-32-50-42-14-5-8-19-56(42)64-58(50)34-54(48)62(52)39-25-21-35(22-26-39)40-16-10-17-44-43-15-6-9-20-59(43)65-60(40)44/h1-34H.
What are the key properties of 7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole?
7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 847.01 g/mol, XLogP of 17.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).