9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole

C56H36N2 — CID 58879515

IUPAC9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
SMILESc1ccc2c(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c3ccccc3cc2c1
InChIInChI=1S/C56H36N2/c1-3-15-46-39(13-1)33-40-14-2-4-16-47(40)56(46)43-35-41(37-25-29-44(30-26-37)57-52-21-9-5-17-48(52)49-18-6-10-22-53(49)57)34-42(36-43)38-27-31-45(32-28-38)58-54-23-11-7-19-50(54)51-20-8-12-24-55(51)58/h1-36H
InChIKeyGGZRMYGBYIJWDL-UHFFFAOYSA-N
MW736.92 g/mol
LogP15.19
Rot. Bonds5

About 9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole

9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole (PubChem CID 58879515) has the molecular formula C56H36N2 and a molecular weight of 736.92 g/mol. Its IUPAC name is 9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
PubChem CID58879515
Molecular FormulaC56H36N2
Molecular Weight736.92 g/mol
Exact Mass736.29
IUPAC Name9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole
SMILESc1ccc2c(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c3ccccc3cc2c1
InChIInChI=1S/C56H36N2/c1-3-15-46-39(13-1)33-40-14-2-4-16-47(40)56(46)43-35-41(37-25-29-44(30-26-37)57-52-21-9-5-17-48(52)49-18-6-10-22-53(49)57)34-42(36-43)38-27-31-45(32-28-38)58-54-23-11-7-19-50(54)51-20-8-12-24-55(51)58/h1-36H
InChIKeyGGZRMYGBYIJWDL-UHFFFAOYSA-N
XLogP15.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.92
LogP ≤ 515.19
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-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
9-(4-benzo[b]triphenylen-9-ylphenyl)carbazole
CID 126617968
9-[4-[6-(4-carbazol-9-ylphenyl)anthracen-2-yl]phenyl]carbazole
CID 58690855
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-[4-[6-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]naphthalen-2-yl]phenyl]carbazole
CID 58971525
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
9-(4-pyren-2-ylphenyl)carbazole
CID 58273485
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole;9-[3-(4-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159689143

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole (CID 58879515) is 9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole is c1ccc2c(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c3ccccc3cc2c1.
What is the InChIKey of 9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole?
The InChIKey is GGZRMYGBYIJWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2/c1-3-15-46-39(13-1)33-40-14-2-4-16-47(40)56(46)43-35-41(37-25-29-44(30-26-37)57-52-21-9-5-17-48(52)49-18-6-10-22-53(49)57)34-42(36-43)38-27-31-45(32-28-38)58-54-23-11-7-19-50(54)51-20-8-12-24-55(51)58/h1-36H.
What are the key properties of 9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole?
9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole has a molecular weight of 736.92 g/mol, XLogP of 15.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-anthracen-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 58879515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).