9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole

C45H28N4O — CID 58037513

IUPAC9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole
SMILESc1cc(-c2nccn2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H28N4O/c1-5-16-39-33(12-1)34-13-2-6-17-40(34)48(39)31-11-9-10-29(26-31)45-46-24-25-47(45)30-20-22-43-37(27-30)38-28-32(21-23-44(38)50-43)49-41-18-7-3-14-35(41)36-15-4-8-19-42(36)49/h1-28H
InChIKeyCVUZAOMUWKDMPO-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.63
Rot. Bonds4

About 9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole

9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole (PubChem CID 58037513) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole
PubChem CID58037513
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole
SMILESc1cc(-c2nccn2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H28N4O/c1-5-16-39-33(12-1)34-13-2-6-17-40(34)48(39)31-11-9-10-29(26-31)45-46-24-25-47(45)30-20-22-43-37(27-30)38-28-32(21-23-44(38)50-43)49-41-18-7-3-14-35(41)36-15-4-8-19-42(36)49/h1-28H
InChIKeyCVUZAOMUWKDMPO-UHFFFAOYSA-N
XLogP11.63
TPSA40.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole (CID 58037513) is 9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole is c1cc(-c2nccn2-c2ccc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole?
The InChIKey is CVUZAOMUWKDMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-5-16-39-33(12-1)34-13-2-6-17-40(34)48(39)31-11-9-10-29(26-31)45-46-24-25-47(45)30-20-22-43-37(27-30)38-28-32(21-23-44(38)50-43)49-41-18-7-3-14-35(41)36-15-4-8-19-42(36)49/h1-28H.
What are the key properties of 9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole?
9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole has a molecular weight of 640.75 g/mol, XLogP of 11.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[1-(8-carbazol-9-yldibenzofuran-2-yl)imidazol-2-yl]phenyl]carbazole is sourced from PubChem (CID 58037513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).