2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline

C51H32N2O — CID 146335613

IUPAC2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4c(C6c7ccccc7-c7ccc(-c8ccccc8)cc76)cccc45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C51H32N2O/c1-3-12-32(13-4-1)34-22-24-35(25-23-34)49-43-18-9-10-21-46(43)52-51(53-49)37-27-29-40-42-19-11-20-44(50(42)54-47(40)31-37)48-41-17-8-7-16-38(41)39-28-26-36(30-45(39)48)33-14-5-2-6-15-33/h1-31,48H
InChIKeyATKNQULUPLTCFA-UHFFFAOYSA-N
MW688.83 g/mol
LogP13.36
Rot. Bonds5

About 2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline

2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline (PubChem CID 146335613) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline.

Molecular Properties

Compound Name2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline
PubChem CID146335613
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4c(C6c7ccccc7-c7ccc(-c8ccccc8)cc76)cccc45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C51H32N2O/c1-3-12-32(13-4-1)34-22-24-35(25-23-34)49-43-18-9-10-21-46(43)52-51(53-49)37-27-29-40-42-19-11-20-44(50(42)54-47(40)31-37)48-41-17-8-7-16-38(41)39-28-26-36(30-45(39)48)33-14-5-2-6-15-33/h1-31,48H
InChIKeyATKNQULUPLTCFA-UHFFFAOYSA-N
XLogP13.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphtho[1,2-b][1]benzofuran-9-yl-4-[3-(4-phenylphenyl)phenyl]quinazoline;vanadium
CID 142619055
2-(4-dibenzofuran-3-ylphenyl)-4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)quinazoline
CID 155326658
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline
CID 155326605
2-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]-4-phenylquinazoline
CID 142293844
2-phenyl-9-[6-[(9S)-3-phenyl-9H-fluoren-9-yl]dibenzofuran-3-yl]-1,10-phenanthroline
CID 146335944
4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-[3-(4-phenylphenyl)phenyl]quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-(4-phenylphenyl)quinazoline;4-(4-naphtho[1,2-b][1]benzofuran-3-ylphenyl)-2-phenylquinazoline
CID 158481385
2-phenyl-4-(7-phenyldibenzofuran-3-yl)-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155477108
2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 171597120
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 137496589
4-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-2-(4-phenylphenyl)quinazoline
CID 155326547
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
2-phenyl-4-(4-phenylphenyl)-6-[3-[9-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 176817791

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline?
The IUPAC name of 2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline (CID 146335613) is 2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline.
What is the SMILES notation for 2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline?
The canonical SMILES for 2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4c(C6c7ccccc7-c7ccc(-c8ccccc8)cc76)cccc45)nc4ccccc34)cc2)cc1.
What is the InChIKey of 2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline?
The InChIKey is ATKNQULUPLTCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-3-12-32(13-4-1)34-22-24-35(25-23-34)49-43-18-9-10-21-46(43)52-51(53-49)37-27-29-40-42-19-11-20-44(50(42)54-47(40)31-37)48-41-17-8-7-16-38(41)39-28-26-36(30-45(39)48)33-14-5-2-6-15-33/h1-31,48H.
What are the key properties of 2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline?
2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline has a molecular weight of 688.83 g/mol, XLogP of 13.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-phenyl-9H-fluoren-9-yl)dibenzofuran-3-yl]-4-(4-phenylphenyl)quinazoline is sourced from PubChem (CID 146335613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).