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

C56H35FN4 — CID 90129294

IUPAC3-[9-(3-fluorophenyl)carbazol-2-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazole
SMILESFc1cccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)c6ccccc6n5)cc4)cc32)c1
InChIInChI=1S/C56H35FN4/c57-42-13-10-14-44(35-42)61-51-19-8-5-15-45(51)47-31-27-41(34-54(47)61)40-28-32-53-49(33-40)46-16-6-9-20-52(46)60(53)43-29-25-39(26-30-43)56-58-50-18-7-4-17-48(50)55(59-56)38-23-21-37(22-24-38)36-11-2-1-3-12-36/h1-35H
InChIKeyZMKHMZSTAVUYHX-UHFFFAOYSA-N
MW782.92 g/mol
LogP14.63
Rot. Bonds6

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

3-[9-(3-fluorophenyl)carbazol-2-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazole (PubChem CID 90129294) has the molecular formula C56H35FN4 and a molecular weight of 782.92 g/mol. Its IUPAC name is 3-[9-(3-fluorophenyl)carbazol-2-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-[9-(3-fluorophenyl)carbazol-2-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazole
PubChem CID90129294
Molecular FormulaC56H35FN4
Molecular Weight782.92 g/mol
Exact Mass782.28
IUPAC Name3-[9-(3-fluorophenyl)carbazol-2-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazole
SMILESFc1cccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)c6ccccc6n5)cc4)cc32)c1
InChIInChI=1S/C56H35FN4/c57-42-13-10-14-44(35-42)61-51-19-8-5-15-45(51)47-31-27-41(34-54(47)61)40-28-32-53-49(33-40)46-16-6-9-20-52(46)60(53)43-29-25-39(26-30-43)56-58-50-18-7-4-17-48(50)55(59-56)38-23-21-37(22-24-38)36-11-2-1-3-12-36/h1-35H
InChIKeyZMKHMZSTAVUYHX-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-[9-(3-fluorophenyl)carbazol-2-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazole?
The IUPAC name of 3-[9-(3-fluorophenyl)carbazol-2-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazole (CID 90129294) is 3-[9-(3-fluorophenyl)carbazol-2-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazole.
What is the SMILES notation for 3-[9-(3-fluorophenyl)carbazol-2-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazole?
The canonical SMILES for 3-[9-(3-fluorophenyl)carbazol-2-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazole is Fc1cccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)c6ccccc6n5)cc4)cc32)c1.
What is the InChIKey of 3-[9-(3-fluorophenyl)carbazol-2-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazole?
The InChIKey is ZMKHMZSTAVUYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35FN4/c57-42-13-10-14-44(35-42)61-51-19-8-5-15-45(51)47-31-27-41(34-54(47)61)40-28-32-53-49(33-40)46-16-6-9-20-52(46)60(53)43-29-25-39(26-30-43)56-58-50-18-7-4-17-48(50)55(59-56)38-23-21-37(22-24-38)36-11-2-1-3-12-36/h1-35H.
What are the key properties of 3-[9-(3-fluorophenyl)carbazol-2-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazole?
3-[9-(3-fluorophenyl)carbazol-2-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-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-[9-(3-fluorophenyl)carbazol-2-yl]-9-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]carbazole is sourced from PubChem (CID 90129294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).