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

C159H98N6S3 — CID 161413530

IUPAC2-[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
SMILESc1ccc(-c2nc(-c3ccc(C4(c5ccc6c(c5)sc5ccccc56)c5ccccc5-c5ccccc54)cc3)nc3c2ccc2ccccc23)cc1.c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3n2)cc1)c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3n2)cc1)c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/2C55H34N2S.C49H30N2S/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;1-2-12-39-33-40(26-23-35(39)11-1)36-21-24-37(25-22-36)53-47-16-5-9-19-50(47)56-54(57-53)38-27-29-41(30-28-38)55(48-17-7-3-13-43(48)44-14-4-8-18-49(44)55)42-31-32-46-45-15-6-10-20-51(45)58-52(46)34-42;1-2-13-32(14-3-1)46-41-28-24-31-12-4-5-15-36(31)47(41)51-48(50-46)33-22-25-34(26-23-33)49(42-19-9-6-16-37(42)38-17-7-10-20-43(38)49)35-27-29-40-39-18-8-11-21-44(39)52-45(40)30-35/h2*1-34H;1-30H
InChIKeyVVUABOFIWAGPLF-UHFFFAOYSA-N
MW2188.78 g/mol
LogP41.88
Rot. Bonds14

About 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

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 (PubChem CID 161413530) has the molecular formula C159H98N6S3 and a molecular weight of 2188.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID161413530
Molecular FormulaC159H98N6S3
Molecular Weight2188.78 g/mol
Exact Mass2186.70
IUPAC Name2-[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
SMILESc1ccc(-c2nc(-c3ccc(C4(c5ccc6c(c5)sc5ccccc56)c5ccccc5-c5ccccc54)cc3)nc3c2ccc2ccccc23)cc1.c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3n2)cc1)c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3n2)cc1)c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/2C55H34N2S.C49H30N2S/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;1-2-12-39-33-40(26-23-35(39)11-1)36-21-24-37(25-22-36)53-47-16-5-9-19-50(47)56-54(57-53)38-27-29-41(30-28-38)55(48-17-7-3-13-43(48)44-14-4-8-18-49(44)55)42-31-32-46-45-15-6-10-20-51(45)58-52(46)34-42;1-2-13-32(14-3-1)46-41-28-24-31-12-4-5-15-36(31)47(41)51-48(50-46)33-22-25-34(26-23-33)49(42-19-9-6-16-37(42)38-17-7-10-20-43(38)49)35-27-29-40-39-18-8-11-21-44(39)52-45(40)30-35/h2*1-34H;1-30H
InChIKeyVVUABOFIWAGPLF-UHFFFAOYSA-N
XLogP41.88
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002188.78
LogP ≤ 541.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

2-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline
CID 146581815
3-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-1-phenylbenzo[f]quinazoline
CID 146581692
2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146581626
2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine
CID 162487301
6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 147892572
2-[4-(11,11-diphenylbenzo[a]fluoren-4-yl)phenyl]-4-phenylbenzo[h]quinazoline
CID 155465892
2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487380
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(4-naphthalen-1-ylphenyl)quinazoline
CID 146581603
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-diphenyl-6-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazine;2-[2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163509066
2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581823

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc(C4(c5ccc6c(c5)sc5ccccc56)c5ccccc5-c5ccccc54)cc3)nc3c2ccc2ccccc23)cc1.c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3n2)cc1)c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3n2)cc1)c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of 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?
The InChIKey is VVUABOFIWAGPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H34N2S.C49H30N2S/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;1-2-12-39-33-40(26-23-35(39)11-1)36-21-24-37(25-22-36)53-47-16-5-9-19-50(47)56-54(57-53)38-27-29-41(30-28-38)55(48-17-7-3-13-43(48)44-14-4-8-18-49(44)55)42-31-32-46-45-15-6-10-20-51(45)58-52(46)34-42;1-2-13-32(14-3-1)46-41-28-24-31-12-4-5-15-36(31)47(41)51-48(50-46)33-22-25-34(26-23-33)49(42-19-9-6-16-37(42)38-17-7-10-20-43(38)49)35-27-29-40-39-18-8-11-21-44(39)52-45(40)30-35/h2*1-34H;1-30H.
What are the key properties of 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?
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 has a molecular weight of 2188.78 g/mol, XLogP of 41.88, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161413530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).