9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole

C50H32N2 — CID 20781581

IUPAC9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2c1
InChIInChI=1S/C50H32N2/c1-2-18-42-41(17-1)49(33-25-29-35(30-26-33)51-45-21-9-5-13-37(45)38-14-6-10-22-46(38)51)43-19-3-4-20-44(43)50(42)34-27-31-36(32-28-34)52-47-23-11-7-15-39(47)40-16-8-12-24-48(40)52/h1-32H
InChIKeyRMPHBWPIGTZESV-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.52
Rot. Bonds4

About 9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole

9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole (PubChem CID 20781581) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole
PubChem CID20781581
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2c1
InChIInChI=1S/C50H32N2/c1-2-18-42-41(17-1)49(33-25-29-35(30-26-33)51-45-21-9-5-13-37(45)38-14-6-10-22-46(38)51)43-19-3-4-20-44(43)50(42)34-27-31-36(32-28-34)52-47-23-11-7-15-39(47)40-16-8-12-24-48(40)52/h1-32H
InChIKeyRMPHBWPIGTZESV-UHFFFAOYSA-N
XLogP13.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.52
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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Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole (CID 20781581) is 9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole is c1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2c1.
What is the InChIKey of 9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole?
The InChIKey is RMPHBWPIGTZESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-2-18-42-41(17-1)49(33-25-29-35(30-26-33)51-45-21-9-5-13-37(45)38-14-6-10-22-46(38)51)43-19-3-4-20-44(43)50(42)34-27-31-36(32-28-34)52-47-23-11-7-15-39(47)40-16-8-12-24-48(40)52/h1-32H.
What are the key properties of 9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole?
9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole has a molecular weight of 660.82 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 20781581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).