2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline

C55H34N2O — CID 146581603

IUPAC2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3n2)cc1)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C55H34N2O/c1-2-14-41-35(12-1)13-11-19-42(41)36-24-26-37(27-25-36)53-47-18-5-9-22-50(47)56-54(57-53)38-28-30-39(31-29-38)55(48-20-7-3-15-43(48)44-16-4-8-21-49(44)55)40-32-33-46-45-17-6-10-23-51(45)58-52(46)34-40/h1-34H
InChIKeyPILLBJVQUQTDRI-UHFFFAOYSA-N
MW738.89 g/mol
LogP14.05
Rot. Bonds5

About 2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline

2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline (PubChem CID 146581603) has the molecular formula C55H34N2O and a molecular weight of 738.89 g/mol. Its IUPAC name is 2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline.

Molecular Properties

Compound Name2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline
PubChem CID146581603
Molecular FormulaC55H34N2O
Molecular Weight738.89 g/mol
Exact Mass738.27
IUPAC Name2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3n2)cc1)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C55H34N2O/c1-2-14-41-35(12-1)13-11-19-42(41)36-24-26-37(27-25-36)53-47-18-5-9-22-50(47)56-54(57-53)38-28-30-39(31-29-38)55(48-20-7-3-15-43(48)44-16-4-8-21-49(44)55)40-32-33-46-45-17-6-10-23-51(45)58-52(46)34-40/h1-34H
InChIKeyPILLBJVQUQTDRI-UHFFFAOYSA-N
XLogP14.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146581865
2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581940
2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline
CID 146581815
2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 163602172
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581933
2-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-4-phenylquinazoline
CID 135176963
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
2,4-diphenyl-6-[7-(11-phenylbenzo[a]fluoren-11-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 162487428
4-[4-(4-dibenzofuran-3-ylnaphthalen-1-yl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603662
6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 147892572
4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
CID 130375125
2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581949

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline?
The IUPAC name of 2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline (CID 146581603) is 2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline.
What is the SMILES notation for 2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline?
The canonical SMILES for 2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline is c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3n2)cc1)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline?
The InChIKey is PILLBJVQUQTDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O/c1-2-14-41-35(12-1)13-11-19-42(41)36-24-26-37(27-25-36)53-47-18-5-9-22-50(47)56-54(57-53)38-28-30-39(31-29-38)55(48-20-7-3-15-43(48)44-16-4-8-21-49(44)55)40-32-33-46-45-17-6-10-23-51(45)58-52(46)34-40/h1-34H.
What are the key properties of 2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline?
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline has a molecular weight of 738.89 g/mol, XLogP of 14.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline is sourced from PubChem (CID 146581603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).