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

C55H34N2S — CID 146581815

IUPAC2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3n2)cc1)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C55H34N2S/c1-2-14-41-35(12-1)13-11-19-42(41)36-24-26-37(27-25-36)53-46-18-5-9-22-50(46)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)40-32-33-52-47(34-40)45-17-6-10-23-51(45)58-52/h1-34H
InChIKeyWVBPMZZNNZMPHO-UHFFFAOYSA-N
MW754.96 g/mol
LogP14.52
Rot. Bonds5

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

2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline (PubChem CID 146581815) has the molecular formula C55H34N2S and a molecular weight of 754.96 g/mol. Its IUPAC name is 2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline.

Molecular Properties

Compound Name2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline
PubChem CID146581815
Molecular FormulaC55H34N2S
Molecular Weight754.96 g/mol
Exact Mass754.24
IUPAC Name2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline
SMILESc1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3n2)cc1)c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C55H34N2S/c1-2-14-41-35(12-1)13-11-19-42(41)36-24-26-37(27-25-36)53-46-18-5-9-22-50(46)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)40-32-33-52-47(34-40)45-17-6-10-23-51(45)58-52/h1-34H
InChIKeyWVBPMZZNNZMPHO-UHFFFAOYSA-N
XLogP14.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.96
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline;2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)quinazoline;2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4-phenylbenzo[h]quinazoline
CID 161413530
2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581823
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline
CID 146581603
2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157398141
2,4-diphenyl-6-[5-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487268
2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166024935
3-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-1-phenylbenzo[f]quinazoline
CID 146581692
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171585799
4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
CID 130375125
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146581626
4-dibenzothiophen-2-yl-2-phenyl-6-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171602945

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline?
The IUPAC name of 2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline (CID 146581815) is 2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline.
What is the SMILES notation for 2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline?
The canonical SMILES for 2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline is c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3n2)cc1)c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline?
The InChIKey is WVBPMZZNNZMPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2S/c1-2-14-41-35(12-1)13-11-19-42(41)36-24-26-37(27-25-36)53-46-18-5-9-22-50(46)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)40-32-33-52-47(34-40)45-17-6-10-23-51(45)58-52/h1-34H.
What are the key properties of 2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline?
2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline has a molecular weight of 754.96 g/mol, XLogP of 14.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline is sourced from PubChem (CID 146581815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).