9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole

C46H29N3O — CID 89433773

IUPAC9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4oc5ccc(-c6cncc(-n7c8ccccc8c8ccccc87)c6)cc5c4c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H29N3O/c1-3-11-30(12-4-1)41-26-34(27-42(48-41)31-13-5-2-6-14-31)32-19-21-45-39(24-32)40-25-33(20-22-46(40)50-45)35-23-36(29-47-28-35)49-43-17-9-7-15-37(43)38-16-8-10-18-44(38)49/h1-29H
InChIKeyVWXHINBKDRGTTD-UHFFFAOYSA-N
MW639.76 g/mol
LogP12.14
Rot. Bonds5

About 9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole

9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole (PubChem CID 89433773) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole
PubChem CID89433773
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4oc5ccc(-c6cncc(-n7c8ccccc8c8ccccc87)c6)cc5c4c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H29N3O/c1-3-11-30(12-4-1)41-26-34(27-42(48-41)31-13-5-2-6-14-31)32-19-21-45-39(24-32)40-25-33(20-22-46(40)50-45)35-23-36(29-47-28-35)49-43-17-9-7-15-37(43)38-16-8-10-18-44(38)49/h1-29H
InChIKeyVWXHINBKDRGTTD-UHFFFAOYSA-N
XLogP12.14
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole?
The IUPAC name of 9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole (CID 89433773) is 9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole.
What is the SMILES notation for 9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole?
The canonical SMILES for 9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole is c1ccc(-c2cc(-c3ccc4oc5ccc(-c6cncc(-n7c8ccccc8c8ccccc87)c6)cc5c4c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole?
The InChIKey is VWXHINBKDRGTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-3-11-30(12-4-1)41-26-34(27-42(48-41)31-13-5-2-6-14-31)32-19-21-45-39(24-32)40-25-33(20-22-46(40)50-45)35-23-36(29-47-28-35)49-43-17-9-7-15-37(43)38-16-8-10-18-44(38)49/h1-29H.
What are the key properties of 9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole?
9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole has a molecular weight of 639.76 g/mol, XLogP of 12.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[8-(2,6-diphenyl-4-pyridinyl)dibenzofuran-2-yl]-3-pyridinyl]carbazole is sourced from PubChem (CID 89433773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).