4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline

C48H30FN3O — CID 66585175

IUPAC4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline
SMILESFc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)cc1
InChIInChI=1S/C48H30FN3O/c49-31-17-19-32(20-18-31)50(33-21-25-35(26-22-33)51-42-13-5-1-9-37(42)38-10-2-6-14-43(38)51)34-23-27-36(28-24-34)52-44-15-7-3-12-41(44)47-45(52)30-29-40-39-11-4-8-16-46(39)53-48(40)47/h1-30H
InChIKeyWGSSTRUMRSBDAQ-UHFFFAOYSA-N
MW683.79 g/mol
LogP13.39
Rot. Bonds5

About 4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline

4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline (PubChem CID 66585175) has the molecular formula C48H30FN3O and a molecular weight of 683.79 g/mol. Its IUPAC name is 4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline.

Molecular Properties

Compound Name4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline
PubChem CID66585175
Molecular FormulaC48H30FN3O
Molecular Weight683.79 g/mol
Exact Mass683.24
IUPAC Name4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline
SMILESFc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)cc1
InChIInChI=1S/C48H30FN3O/c49-31-17-19-32(20-18-31)50(33-21-25-35(26-22-33)51-42-13-5-1-9-37(42)38-10-2-6-14-43(38)51)34-23-27-36(28-24-34)52-44-15-7-3-12-41(44)47-45(52)30-29-40-39-11-4-8-16-46(39)53-48(40)47/h1-30H
InChIKeyWGSSTRUMRSBDAQ-UHFFFAOYSA-N
XLogP13.39
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.79
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline?
The IUPAC name of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline (CID 66585175) is 4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline.
What is the SMILES notation for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline?
The canonical SMILES for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline is Fc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)cc2)cc1.
What is the InChIKey of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline?
The InChIKey is WGSSTRUMRSBDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30FN3O/c49-31-17-19-32(20-18-31)50(33-21-25-35(26-22-33)51-42-13-5-1-9-37(42)38-10-2-6-14-43(38)51)34-23-27-36(28-24-34)52-44-15-7-3-12-41(44)47-45(52)30-29-40-39-11-4-8-16-46(39)53-48(40)47/h1-30H.
What are the key properties of 4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline?
4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline has a molecular weight of 683.79 g/mol, XLogP of 13.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[3,2-c]carbazol-5-yl)-N-(4-carbazol-9-ylphenyl)-N-(4-fluorophenyl)aniline is sourced from PubChem (CID 66585175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).