3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole

C58H35NO — CID 87156900

IUPAC3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole
SMILESc1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-n5c6ccccc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)ccc34)cccc2c1
InChIInChI=1S/C58H35NO/c1-3-18-40-36(14-1)16-11-25-45(40)56-47-22-5-6-23-48(47)57(46-26-12-17-37-15-2-4-19-41(37)46)52-35-39(31-32-49(52)56)59-53-28-9-7-20-43(53)51-34-38(30-33-54(51)59)42-24-13-27-50-44-21-8-10-29-55(44)60-58(42)50/h1-35H
InChIKeyVTQWUXBBNCMCTP-UHFFFAOYSA-N
MW761.92 g/mol
LogP16.30
Rot. Bonds4

About 3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole

3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole (PubChem CID 87156900) has the molecular formula C58H35NO and a molecular weight of 761.92 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole
PubChem CID87156900
Molecular FormulaC58H35NO
Molecular Weight761.92 g/mol
Exact Mass761.27
IUPAC Name3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole
SMILESc1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-n5c6ccccc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)ccc34)cccc2c1
InChIInChI=1S/C58H35NO/c1-3-18-40-36(14-1)16-11-25-45(40)56-47-22-5-6-23-48(47)57(46-26-12-17-37-15-2-4-19-41(37)46)52-35-39(31-32-49(52)56)59-53-28-9-7-20-43(53)51-34-38(30-33-54(51)59)42-24-13-27-50-44-21-8-10-29-55(44)60-58(42)50/h1-35H
InChIKeyVTQWUXBBNCMCTP-UHFFFAOYSA-N
XLogP16.30
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.92
LogP ≤ 516.30
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-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156706
3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87153723
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
CID 142356757
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 126682058
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
6-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-2-[6-[9-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazol-2-yl]dibenzofuran-3-yl]-9-(4-naphthalen-2-ylphenyl)carbazole
CID 156576285
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole (CID 87156900) is 3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole is c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-n5c6ccccc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)ccc34)cccc2c1.
What is the InChIKey of 3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole?
The InChIKey is VTQWUXBBNCMCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35NO/c1-3-18-40-36(14-1)16-11-25-45(40)56-47-22-5-6-23-48(47)57(46-26-12-17-37-15-2-4-19-41(37)46)52-35-39(31-32-49(52)56)59-53-28-9-7-20-43(53)51-34-38(30-33-54(51)59)42-24-13-27-50-44-21-8-10-29-55(44)60-58(42)50/h1-35H.
What are the key properties of 3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole?
3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole has a molecular weight of 761.92 g/mol, XLogP of 16.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole is sourced from PubChem (CID 87156900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).