3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole

C56H35FN4 — CID 118067278

IUPAC3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESFc1cccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc(-c7ccccc7)c7ccccc7n6)cc5)cc4)ccc32)c1
InChIInChI=1S/C56H35FN4/c57-42-13-10-14-44(35-42)61-52-20-9-6-16-46(52)49-34-41(28-32-54(49)61)37-23-21-36(22-24-37)40-27-31-53-48(33-40)45-15-5-8-19-51(45)60(53)43-29-25-39(26-30-43)56-58-50-18-7-4-17-47(50)55(59-56)38-11-2-1-3-12-38/h1-35H
InChIKeyLNUMYLBXCWILSA-UHFFFAOYSA-N
MW782.92 g/mol
LogP14.63
Rot. Bonds6

About 3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole

3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole (PubChem CID 118067278) has the molecular formula C56H35FN4 and a molecular weight of 782.92 g/mol. Its IUPAC name is 3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
PubChem CID118067278
Molecular FormulaC56H35FN4
Molecular Weight782.92 g/mol
Exact Mass782.28
IUPAC Name3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESFc1cccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc(-c7ccccc7)c7ccccc7n6)cc5)cc4)ccc32)c1
InChIInChI=1S/C56H35FN4/c57-42-13-10-14-44(35-42)61-52-20-9-6-16-46(52)49-34-41(28-32-54(49)61)37-23-21-36(22-24-37)40-27-31-53-48(33-40)45-15-5-8-19-51(45)60(53)43-29-25-39(26-30-43)56-58-50-18-7-4-17-47(50)55(59-56)38-11-2-1-3-12-38/h1-35H
InChIKeyLNUMYLBXCWILSA-UHFFFAOYSA-N
XLogP14.63
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.92
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The IUPAC name of 3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole (CID 118067278) is 3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole is Fc1cccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc(-c7ccccc7)c7ccccc7n6)cc5)cc4)ccc32)c1.
What is the InChIKey of 3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The InChIKey is LNUMYLBXCWILSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35FN4/c57-42-13-10-14-44(35-42)61-52-20-9-6-16-46(52)49-34-41(28-32-54(49)61)37-23-21-36(22-24-37)40-27-31-53-48(33-40)45-15-5-8-19-51(45)60(53)43-29-25-39(26-30-43)56-58-50-18-7-4-17-47(50)55(59-56)38-11-2-1-3-12-38/h1-35H.
What are the key properties of 3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole has a molecular weight of 782.92 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9-(3-fluorophenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole is sourced from PubChem (CID 118067278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).