9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole

C44H27NO — CID 87156910

IUPAC9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C44H27NO/c1-3-14-31-28(12-1)26-29-13-2-4-15-32(29)43(31)37-18-6-9-22-40(37)45-39-21-8-5-16-34(39)38-27-30(24-25-41(38)45)33-19-11-20-36-35-17-7-10-23-42(35)46-44(33)36/h1-27H
InChIKeyQQDGTDYMZMUVRR-UHFFFAOYSA-N
MW585.71 g/mol
LogP12.32
Rot. Bonds3

About 9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole

9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole (PubChem CID 87156910) has the molecular formula C44H27NO and a molecular weight of 585.71 g/mol. Its IUPAC name is 9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole.

Molecular Properties

Compound Name9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole
PubChem CID87156910
Molecular FormulaC44H27NO
Molecular Weight585.71 g/mol
Exact Mass585.21
IUPAC Name9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c(-c2c3ccccc3cc3ccccc23)c1
InChIInChI=1S/C44H27NO/c1-3-14-31-28(12-1)26-29-13-2-4-15-32(29)43(31)37-18-6-9-22-40(37)45-39-21-8-5-16-34(39)38-27-30(24-25-41(38)45)33-19-11-20-36-35-17-7-10-23-42(35)46-44(33)36/h1-27H
InChIKeyQQDGTDYMZMUVRR-UHFFFAOYSA-N
XLogP12.32
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole
CID 87156900
3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole
CID 118504741
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
CID 142356757
3-dibenzofuran-4-yl-9-dibenzothiophen-1-ylcarbazole
CID 118458137
2-[9-(6-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753605
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-2-ylphenyl)carbazole
CID 142356877
9-(7-dibenzofuran-4-yldibenzofuran-1-yl)carbazole
CID 170284005
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775

Frequently Asked Questions

What is the IUPAC name of 9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole?
The IUPAC name of 9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole (CID 87156910) is 9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole.
What is the SMILES notation for 9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole?
The canonical SMILES for 9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)c(-c2c3ccccc3cc3ccccc23)c1.
What is the InChIKey of 9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole?
The InChIKey is QQDGTDYMZMUVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO/c1-3-14-31-28(12-1)26-29-13-2-4-15-32(29)43(31)37-18-6-9-22-40(37)45-39-21-8-5-16-34(39)38-27-30(24-25-41(38)45)33-19-11-20-36-35-17-7-10-23-42(35)46-44(33)36/h1-27H.
What are the key properties of 9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole?
9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole has a molecular weight of 585.71 g/mol, XLogP of 12.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-anthracen-9-ylphenyl)-3-dibenzofuran-4-ylcarbazole is sourced from PubChem (CID 87156910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).