5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole

C47H29N3O — CID 118154509

IUPAC5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-14-30(15-4-1)38-28-32(29-39(48-38)35-21-13-25-44-45(35)37-20-9-12-24-43(37)51-44)49-41-23-11-8-19-36(41)46-42(49)27-26-34-33-18-7-10-22-40(33)50(47(34)46)31-16-5-2-6-17-31/h1-29H
InChIKeyWWVAAQBJWDJAFM-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.51
Rot. Bonds4

About 5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole

5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole (PubChem CID 118154509) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole
PubChem CID118154509
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-14-30(15-4-1)38-28-32(29-39(48-38)35-21-13-25-44-45(35)37-20-9-12-24-43(37)51-44)49-41-23-11-8-19-36(41)46-42(49)27-26-34-33-18-7-10-22-40(33)50(47(34)46)31-16-5-2-6-17-31/h1-29H
InChIKeyWWVAAQBJWDJAFM-UHFFFAOYSA-N
XLogP12.51
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole (CID 118154509) is 5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)cc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole?
The InChIKey is WWVAAQBJWDJAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-14-30(15-4-1)38-28-32(29-39(48-38)35-21-13-25-44-45(35)37-20-9-12-24-43(37)51-44)49-41-23-11-8-19-36(41)46-42(49)27-26-34-33-18-7-10-22-40(33)50(47(34)46)31-16-5-2-6-17-31/h1-29H.
What are the key properties of 5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole?
5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole has a molecular weight of 651.77 g/mol, XLogP of 12.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-dibenzofuran-1-yl-6-phenyl-4-pyridinyl)-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 118154509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).