9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole

C43H24N2O2 — CID 161319606

IUPAC9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole
SMILES[C-]#[N+]c1cc(-c2cccc3c2oc2ccccc23)cc2c1oc1c(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cccc12
InChIInChI=1S/C43H24N2O2/c1-44-36-24-28(29-15-9-16-33-32-14-6-8-20-40(32)46-41(29)33)23-35-34-17-10-19-38(43(34)47-42(35)36)45-37-18-7-5-13-30(37)31-22-21-27(25-39(31)45)26-11-3-2-4-12-26/h2-25H
InChIKeyJFKVTLAXKFNJJA-UHFFFAOYSA-N
MW600.68 g/mol
LogP12.47
Rot. Bonds3

About 9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole

9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole (PubChem CID 161319606) has the molecular formula C43H24N2O2 and a molecular weight of 600.68 g/mol. Its IUPAC name is 9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole.

Molecular Properties

Compound Name9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole
PubChem CID161319606
Molecular FormulaC43H24N2O2
Molecular Weight600.68 g/mol
Exact Mass600.18
IUPAC Name9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole
SMILES[C-]#[N+]c1cc(-c2cccc3c2oc2ccccc23)cc2c1oc1c(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cccc12
InChIInChI=1S/C43H24N2O2/c1-44-36-24-28(29-15-9-16-33-32-14-6-8-20-40(32)46-41(29)33)23-35-34-17-10-19-38(43(34)47-42(35)36)45-37-18-7-5-13-30(37)31-22-21-27(25-39(31)45)26-11-3-2-4-12-26/h2-25H
InChIKeyJFKVTLAXKFNJJA-UHFFFAOYSA-N
XLogP12.47
TPSA35.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.68
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-carbazol-9-yldibenzofuran-4-yl)-9-(2-isocyanophenyl)carbazole
CID 140760353
2-dibenzofuran-4-yl-6-(3,6-diphenylcarbazol-9-yl)dibenzofuran-4-carbonitrile
CID 147295774
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294
2-[3-(4-bromophenyl)phenyl]-9-dibenzofuran-4-ylcarbazole
CID 118505930
6-carbazol-9-yl-2-dibenzofuran-4-yldibenzofuran-4-carbonitrile
CID 147298764
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492307
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]aniline
CID 164724975
9-dibenzofuran-4-yl-3-(9-dibenzofuran-4-ylcarbazol-2-yl)-2-phenylcarbazole
CID 90348741
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)-2-phenylcarbazole
CID 148764046
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole?
The IUPAC name of 9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole (CID 161319606) is 9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole.
What is the SMILES notation for 9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole?
The canonical SMILES for 9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole is [C-]#[N+]c1cc(-c2cccc3c2oc2ccccc23)cc2c1oc1c(-n3c4ccccc4c4ccc(-c5ccccc5)cc43)cccc12.
What is the InChIKey of 9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole?
The InChIKey is JFKVTLAXKFNJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2O2/c1-44-36-24-28(29-15-9-16-33-32-14-6-8-20-40(32)46-41(29)33)23-35-34-17-10-19-38(43(34)47-42(35)36)45-37-18-7-5-13-30(37)31-22-21-27(25-39(31)45)26-11-3-2-4-12-26/h2-25H.
What are the key properties of 9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole?
9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole has a molecular weight of 600.68 g/mol, XLogP of 12.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-dibenzofuran-4-yl-6-isocyanodibenzofuran-4-yl)-2-phenylcarbazole is sourced from PubChem (CID 161319606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).