5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole

C44H26N2O2 — CID 144596285

IUPAC5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole
SMILESc1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5c6ccccc6n(-c6cccc7c6oc6ccccc67)c54)cc3)cccc12
InChIInChI=1S/C44H26N2O2/c1-5-18-36-34(13-1)41-35-14-2-6-19-37(35)46(38-20-10-17-33-31-12-4-8-22-40(31)48-43(33)38)44(41)45(36)28-25-23-27(24-26-28)29-15-9-16-32-30-11-3-7-21-39(30)47-42(29)32/h1-26H
InChIKeyWWEMREQYBWIBDF-UHFFFAOYSA-N
MW614.70 g/mol
LogP12.19
Rot. Bonds3

About 5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole

5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole (PubChem CID 144596285) has the molecular formula C44H26N2O2 and a molecular weight of 614.70 g/mol. Its IUPAC name is 5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole.

Molecular Properties

Compound Name5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole
PubChem CID144596285
Molecular FormulaC44H26N2O2
Molecular Weight614.70 g/mol
Exact Mass614.20
IUPAC Name5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole
SMILESc1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5c6ccccc6n(-c6cccc7c6oc6ccccc67)c54)cc3)cccc12
InChIInChI=1S/C44H26N2O2/c1-5-18-36-34(13-1)41-35-14-2-6-19-37(35)46(38-20-10-17-33-31-12-4-8-22-40(31)48-43(33)38)44(41)45(36)28-25-23-27(24-26-28)29-15-9-16-32-30-11-3-7-21-39(30)47-42(29)32/h1-26H
InChIKeyWWEMREQYBWIBDF-UHFFFAOYSA-N
XLogP12.19
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.70
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118488562
9-(4-dibenzofuran-4-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580156
9-(4-dibenzofuran-4-ylphenyl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580159
9-dibenzofuran-4-yl-14-(4-naphthalen-1-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167029631
2-dibenzofuran-4-yl-5,6-diphenyl-9-[4-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-b]indole
CID 144596182
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
4-[14-(4-dibenzofuran-4-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]benzenethiol
CID 144512001
14-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 90191516
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90191508
12-dibenzofuran-4-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-c]carbazole
CID 167030154

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole?
The IUPAC name of 5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole (CID 144596285) is 5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole.
What is the SMILES notation for 5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole?
The canonical SMILES for 5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole is c1ccc2c(c1)oc1c(-c3ccc(-n4c5ccccc5c5c6ccccc6n(-c6cccc7c6oc6ccccc67)c54)cc3)cccc12.
What is the InChIKey of 5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole?
The InChIKey is WWEMREQYBWIBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2O2/c1-5-18-36-34(13-1)41-35-14-2-6-19-37(35)46(38-20-10-17-33-31-12-4-8-22-40(31)48-43(33)38)44(41)45(36)28-25-23-27(24-26-28)29-15-9-16-32-30-11-3-7-21-39(30)47-42(29)32/h1-26H.
What are the key properties of 5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole?
5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole has a molecular weight of 614.70 g/mol, XLogP of 12.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-4-yl-6-(4-dibenzofuran-4-ylphenyl)indolo[2,3-b]indole is sourced from PubChem (CID 144596285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).