3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole

C58H36FN3 — CID 122472152

IUPAC3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)cc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1
InChIInChI=1S/C58H36FN3/c59-43-24-27-44(28-25-43)60-55-19-9-5-15-49(55)51-35-39(22-29-57(51)60)41-31-42(34-46(33-41)62-53-17-7-3-13-47(53)48-14-4-8-18-54(48)62)40-23-30-58-52(36-40)50-16-6-10-20-56(50)61(58)45-26-21-37-11-1-2-12-38(37)32-45/h1-36H
InChIKeyTYHUKKFJFICSLH-UHFFFAOYSA-N
MW793.95 g/mol
LogP15.60
Rot. Bonds5

About 3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole

3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole (PubChem CID 122472152) has the molecular formula C58H36FN3 and a molecular weight of 793.95 g/mol. Its IUPAC name is 3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole
PubChem CID122472152
Molecular FormulaC58H36FN3
Molecular Weight793.95 g/mol
Exact Mass793.29
IUPAC Name3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)cc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1
InChIInChI=1S/C58H36FN3/c59-43-24-27-44(28-25-43)60-55-19-9-5-15-49(55)51-35-39(22-29-57(51)60)41-31-42(34-46(33-41)62-53-17-7-3-13-47(53)48-14-4-8-18-54(48)62)40-23-30-58-52(36-40)50-16-6-10-20-56(50)61(58)45-26-21-37-11-1-2-12-38(37)32-45/h1-36H
InChIKeyTYHUKKFJFICSLH-UHFFFAOYSA-N
XLogP15.60
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.95
LogP ≤ 515.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole?
The IUPAC name of 3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole (CID 122472152) is 3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole is Fc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)cc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1.
What is the InChIKey of 3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole?
The InChIKey is TYHUKKFJFICSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36FN3/c59-43-24-27-44(28-25-43)60-55-19-9-5-15-49(55)51-35-39(22-29-57(51)60)41-31-42(34-46(33-41)62-53-17-7-3-13-47(53)48-14-4-8-18-54(48)62)40-23-30-58-52(36-40)50-16-6-10-20-56(50)61(58)45-26-21-37-11-1-2-12-38(37)32-45/h1-36H.
What are the key properties of 3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole?
3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole has a molecular weight of 793.95 g/mol, XLogP of 15.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-carbazol-9-yl-5-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 122472152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).