5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole

C52H32N2O — CID 134222269

IUPAC5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole
SMILESc1ccc2cc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)c6cc54)cc3)ccc2c1
InChIInChI=1S/C52H32N2O/c1-2-11-36-30-37(21-20-33(36)10-1)34-22-26-38(27-23-34)53-47-17-6-3-12-41(47)45-31-46-42-13-4-7-18-48(42)54(50(46)32-49(45)53)39-28-24-35(25-29-39)40-15-9-16-44-43-14-5-8-19-51(43)55-52(40)44/h1-32H
InChIKeyLMSSZCQADXPMEZ-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.27
Rot. Bonds4

About 5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole

5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole (PubChem CID 134222269) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole
PubChem CID134222269
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole
SMILESc1ccc2cc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)c6cc54)cc3)ccc2c1
InChIInChI=1S/C52H32N2O/c1-2-11-36-30-37(21-20-33(36)10-1)34-22-26-38(27-23-34)53-47-17-6-3-12-41(47)45-31-46-42-13-4-7-18-48(42)54(50(46)32-49(45)53)39-28-24-35(25-29-39)40-15-9-16-44-43-14-5-8-19-51(43)55-52(40)44/h1-32H
InChIKeyLMSSZCQADXPMEZ-UHFFFAOYSA-N
XLogP14.27
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.84
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole?
The IUPAC name of 5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole (CID 134222269) is 5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole.
What is the SMILES notation for 5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole?
The canonical SMILES for 5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole is c1ccc2cc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)c6cc54)cc3)ccc2c1.
What is the InChIKey of 5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole?
The InChIKey is LMSSZCQADXPMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-2-11-36-30-37(21-20-33(36)10-1)34-22-26-38(27-23-34)53-47-17-6-3-12-41(47)45-31-46-42-13-4-7-18-48(42)54(50(46)32-49(45)53)39-28-24-35(25-29-39)40-15-9-16-44-43-14-5-8-19-51(43)55-52(40)44/h1-32H.
What are the key properties of 5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole?
5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole has a molecular weight of 700.84 g/mol, XLogP of 14.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole is sourced from PubChem (CID 134222269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).