3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole

C56H33NO2 — CID 87156847

IUPAC3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole
SMILESc1ccc(-c2c3ccccc3c(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)c3ccccc23)cc1
InChIInChI=1S/C56H33NO2/c1-2-14-34(15-3-1)53-41-18-4-6-20-43(41)54(44-21-7-5-19-42(44)53)57-49-30-28-35(37-22-12-24-45-39-16-8-10-26-51(39)58-55(37)45)32-47(49)48-33-36(29-31-50(48)57)38-23-13-25-46-40-17-9-11-27-52(40)59-56(38)46/h1-33H
InChIKeyHETFYLGDCJFKJX-UHFFFAOYSA-N
MW751.89 g/mol
LogP15.89
Rot. Bonds4

About 3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole

3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole (PubChem CID 87156847) has the molecular formula C56H33NO2 and a molecular weight of 751.89 g/mol. Its IUPAC name is 3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole.

Molecular Properties

Compound Name3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole
PubChem CID87156847
Molecular FormulaC56H33NO2
Molecular Weight751.89 g/mol
Exact Mass751.25
IUPAC Name3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole
SMILESc1ccc(-c2c3ccccc3c(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)c3ccccc23)cc1
InChIInChI=1S/C56H33NO2/c1-2-14-34(15-3-1)53-41-18-4-6-20-43(41)54(44-21-7-5-19-42(44)53)57-49-30-28-35(37-22-12-24-45-39-16-8-10-26-51(39)58-55(37)45)32-47(49)48-33-36(29-31-50(48)57)38-23-13-25-46-40-17-9-11-27-52(40)59-56(38)46/h1-33H
InChIKeyHETFYLGDCJFKJX-UHFFFAOYSA-N
XLogP15.89
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.89
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543
3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87153723
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 90180761
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;3-[3-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylcarbazole
CID 158195291
9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156706
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156561
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
4-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165104271

Frequently Asked Questions

What is the IUPAC name of 3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole?
The IUPAC name of 3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole (CID 87156847) is 3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole.
What is the SMILES notation for 3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole?
The canonical SMILES for 3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole is c1ccc(-c2c3ccccc3c(-n3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)c3ccccc23)cc1.
What is the InChIKey of 3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole?
The InChIKey is HETFYLGDCJFKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33NO2/c1-2-14-34(15-3-1)53-41-18-4-6-20-43(41)54(44-21-7-5-19-42(44)53)57-49-30-28-35(37-22-12-24-45-39-16-8-10-26-51(39)58-55(37)45)32-47(49)48-33-36(29-31-50(48)57)38-23-13-25-46-40-17-9-11-27-52(40)59-56(38)46/h1-33H.
What are the key properties of 3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole?
3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole has a molecular weight of 751.89 g/mol, XLogP of 15.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole is sourced from PubChem (CID 87156847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).