5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole

C44H27NOS — CID 163828221

IUPAC5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole
SMILESc1ccc(-c2c(-c3ccc4c(c3)sc3ccccc34)c3cc(-c4ccc5oc6ccccc6c5c4)ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C44H27NOS/c1-3-11-28(12-4-1)44-43(31-19-22-35-34-16-8-10-18-41(34)47-42(35)27-31)37-26-29(20-23-38(37)45(44)32-13-5-2-6-14-32)30-21-24-40-36(25-30)33-15-7-9-17-39(33)46-40/h1-27H
InChIKeyOBKHECZQHXTYPL-UHFFFAOYSA-N
MW617.77 g/mol
LogP12.90
Rot. Bonds4

About 5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole

5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole (PubChem CID 163828221) has the molecular formula C44H27NOS and a molecular weight of 617.77 g/mol. Its IUPAC name is 5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole.

Molecular Properties

Compound Name5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole
PubChem CID163828221
Molecular FormulaC44H27NOS
Molecular Weight617.77 g/mol
Exact Mass617.18
IUPAC Name5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole
SMILESc1ccc(-c2c(-c3ccc4c(c3)sc3ccccc34)c3cc(-c4ccc5oc6ccccc6c5c4)ccc3n2-c2ccccc2)cc1
InChIInChI=1S/C44H27NOS/c1-3-11-28(12-4-1)44-43(31-19-22-35-34-16-8-10-18-41(34)47-42(35)27-31)37-26-29(20-23-38(37)45(44)32-13-5-2-6-14-32)30-21-24-40-36(25-30)33-15-7-9-17-39(33)46-40/h1-27H
InChIKeyOBKHECZQHXTYPL-UHFFFAOYSA-N
XLogP12.90
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.77
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
10-dibenzofuran-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009360
3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
CID 90265537
3-dibenzofuran-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 158998789
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;9-phenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 157163023
9-dibenzofuran-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;9-dibenzothiophen-2-yl-3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157326935
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
3-dibenzofuran-2-yl-9-(7-dibenzothiophen-3-yldibenzofuran-2-yl)carbazole
CID 170688567
9-[3-dibenzofuran-2-yl-5-(4-dibenzothiophen-3-ylphenyl)phenyl]carbazole
CID 121449385
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828465

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole?
The IUPAC name of 5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole (CID 163828221) is 5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole.
What is the SMILES notation for 5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole?
The canonical SMILES for 5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole is c1ccc(-c2c(-c3ccc4c(c3)sc3ccccc34)c3cc(-c4ccc5oc6ccccc6c5c4)ccc3n2-c2ccccc2)cc1.
What is the InChIKey of 5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole?
The InChIKey is OBKHECZQHXTYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NOS/c1-3-11-28(12-4-1)44-43(31-19-22-35-34-16-8-10-18-41(34)47-42(35)27-31)37-26-29(20-23-38(37)45(44)32-13-5-2-6-14-32)30-21-24-40-36(25-30)33-15-7-9-17-39(33)46-40/h1-27H.
What are the key properties of 5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole?
5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole has a molecular weight of 617.77 g/mol, XLogP of 12.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-2-yl-3-dibenzothiophen-3-yl-1,2-diphenylindole is sourced from PubChem (CID 163828221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).