2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole

C48H29NO2 — CID 137474165

IUPAC2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5c4)cc3)cc12
InChIInChI=1S/C48H29NO2/c1-4-13-43-37(8-1)38-26-22-34(31-18-16-30(17-19-31)33-23-27-47-42(28-33)40-10-3-5-14-45(40)50-47)29-44(38)49(43)35-24-20-32(21-25-35)36-11-7-12-41-39-9-2-6-15-46(39)51-48(36)41/h1-29H
InChIKeyGAENVQXBKVYSFO-UHFFFAOYSA-N
MW651.77 g/mol
LogP13.58
Rot. Bonds4

About 2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole

2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole (PubChem CID 137474165) has the molecular formula C48H29NO2 and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole.

Molecular Properties

Compound Name2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
PubChem CID137474165
Molecular FormulaC48H29NO2
Molecular Weight651.77 g/mol
Exact Mass651.22
IUPAC Name2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5c4)cc3)cc12
InChIInChI=1S/C48H29NO2/c1-4-13-43-37(8-1)38-26-22-34(31-18-16-30(17-19-31)33-23-27-47-42(28-33)40-10-3-5-14-45(40)50-47)29-44(38)49(43)35-24-20-32(21-25-35)36-11-7-12-41-39-9-2-6-15-46(39)51-48(36)41/h1-29H
InChIKeyGAENVQXBKVYSFO-UHFFFAOYSA-N
XLogP13.58
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole?
The IUPAC name of 2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole (CID 137474165) is 2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole.
What is the SMILES notation for 2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole?
The canonical SMILES for 2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole is c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c5c4)cc3)cc12.
What is the InChIKey of 2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole?
The InChIKey is GAENVQXBKVYSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2/c1-4-13-43-37(8-1)38-26-22-34(31-18-16-30(17-19-31)33-23-27-47-42(28-33)40-10-3-5-14-45(40)50-47)29-44(38)49(43)35-24-20-32(21-25-35)36-11-7-12-41-39-9-2-6-15-46(39)51-48(36)41/h1-29H.
What are the key properties of 2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole?
2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole has a molecular weight of 651.77 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole is sourced from PubChem (CID 137474165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).