3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole

C50H31NO — CID 87153723

IUPAC3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)ccc23)cc1
InChIInChI=1S/C50H31NO/c1-3-14-32(15-4-1)48-39-20-7-8-21-40(39)49(33-16-5-2-6-17-33)44-31-35(27-28-41(44)48)51-45-24-11-9-18-37(45)43-30-34(26-29-46(43)51)36-22-13-23-42-38-19-10-12-25-47(38)52-50(36)42/h1-31H
InChIKeyZOKDROJSSSXWIU-UHFFFAOYSA-N
MW661.80 g/mol
LogP13.99
Rot. Bonds4

About 3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole

3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole (PubChem CID 87153723) has the molecular formula C50H31NO and a molecular weight of 661.80 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
PubChem CID87153723
Molecular FormulaC50H31NO
Molecular Weight661.80 g/mol
Exact Mass661.24
IUPAC Name3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)ccc23)cc1
InChIInChI=1S/C50H31NO/c1-3-14-32(15-4-1)48-39-20-7-8-21-40(39)49(33-16-5-2-6-17-33)44-31-35(27-28-41(44)48)51-45-24-11-9-18-37(45)43-30-34(26-29-46(43)51)36-22-13-23-42-38-19-10-12-25-47(38)52-50(36)42/h1-31H
InChIKeyZOKDROJSSSXWIU-UHFFFAOYSA-N
XLogP13.99
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.80
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156706
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543
3-dibenzofuran-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 90180761
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole
CID 87156900
2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156561
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
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
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
2-dibenzofuran-4-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzofuran-4-yl)carbazole;2-(2,8-diphenyldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159084484

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole (CID 87153723) is 3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)ccc23)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole?
The InChIKey is ZOKDROJSSSXWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO/c1-3-14-32(15-4-1)48-39-20-7-8-21-40(39)49(33-16-5-2-6-17-33)44-31-35(27-28-41(44)48)51-45-24-11-9-18-37(45)43-30-34(26-29-46(43)51)36-22-13-23-42-38-19-10-12-25-47(38)52-50(36)42/h1-31H.
What are the key properties of 3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole?
3-dibenzofuran-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole has a molecular weight of 661.80 g/mol, XLogP of 13.99, 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-diphenylanthracen-2-yl)carbazole is sourced from PubChem (CID 87153723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).