2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline

C288H184N24 — CID 157156719

IUPAC2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5n4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc5)nc5c(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)cc45)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5n4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5n4)cc3)n2)cc1
InChIInChI=1S/C74H48N4.2C72H46N6.C70H44N8/c1-5-19-49(20-6-1)59-45-68(53-23-7-2-8-24-53)76-71(46-59)56-37-39-57(40-38-56)72-67-44-61(64-33-17-29-51-21-13-15-31-62(51)64)43-66(65-34-18-30-52-22-14-16-32-63(52)65)73(67)78-74(77-72)58-41-35-50(36-42-58)60-47-69(54-25-9-3-10-26-54)75-70(48-60)55-27-11-4-12-28-55;1-5-21-49(22-6-1)64-45-66(75-70(73-64)54-25-9-3-10-26-54)51-35-39-53(40-36-51)68-63-44-57(60-33-17-29-47-19-13-15-31-58(47)60)43-62(61-34-18-30-48-20-14-16-32-59(48)61)69(63)78-72(77-68)56-41-37-52(38-42-56)67-46-65(50-23-7-2-8-24-50)74-71(76-67)55-27-11-4-12-28-55;1-5-21-49(22-6-1)64-45-65(50-23-7-2-8-24-50)74-70(73-64)54-37-35-53(36-38-54)68-63-44-57(60-33-17-29-47-19-13-15-31-58(47)60)43-62(61-34-18-30-48-20-14-16-32-59(48)61)69(63)78-72(77-68)56-41-39-55(40-42-56)71-75-66(51-25-9-3-10-26-51)46-67(76-71)52-27-11-4-12-28-52;1-5-21-48(22-6-1)65-73-66(49-23-7-2-8-24-49)76-69(75-65)53-37-35-47(36-38-53)62-61-44-55(58-33-17-29-45-19-13-15-31-56(45)58)43-60(59-34-18-30-46-20-14-16-32-57(46)59)63(61)72-64(71-62)52-39-41-54(42-40-52)70-77-67(50-25-9-3-10-26-50)74-68(78-70)51-27-11-4-12-28-51/h1-48H;2*1-46H;1-44H
InChIKeyALWXHVXSGIJFIH-UHFFFAOYSA-N
MW3980.81 g/mol
LogP72.74
Rot. Bonds40

About 2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline

2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline (PubChem CID 157156719) has the molecular formula C288H184N24 and a molecular weight of 3980.81 g/mol. Its IUPAC name is 2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline.

Molecular Properties

Compound Name2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline
PubChem CID157156719
Molecular FormulaC288H184N24
Molecular Weight3980.81 g/mol
Exact Mass3977.51
IUPAC Name2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5n4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc5)nc5c(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)cc45)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5n4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5n4)cc3)n2)cc1
InChIInChI=1S/C74H48N4.2C72H46N6.C70H44N8/c1-5-19-49(20-6-1)59-45-68(53-23-7-2-8-24-53)76-71(46-59)56-37-39-57(40-38-56)72-67-44-61(64-33-17-29-51-21-13-15-31-62(51)64)43-66(65-34-18-30-52-22-14-16-32-63(52)65)73(67)78-74(77-72)58-41-35-50(36-42-58)60-47-69(54-25-9-3-10-26-54)75-70(48-60)55-27-11-4-12-28-55;1-5-21-49(22-6-1)64-45-66(75-70(73-64)54-25-9-3-10-26-54)51-35-39-53(40-36-51)68-63-44-57(60-33-17-29-47-19-13-15-31-58(47)60)43-62(61-34-18-30-48-20-14-16-32-59(48)61)69(63)78-72(77-68)56-41-37-52(38-42-56)67-46-65(50-23-7-2-8-24-50)74-71(76-67)55-27-11-4-12-28-55;1-5-21-49(22-6-1)64-45-65(50-23-7-2-8-24-50)74-70(73-64)54-37-35-53(36-38-54)68-63-44-57(60-33-17-29-47-19-13-15-31-58(47)60)43-62(61-34-18-30-48-20-14-16-32-59(48)61)69(63)78-72(77-68)56-41-39-55(40-42-56)71-75-66(51-25-9-3-10-26-51)46-67(76-71)52-27-11-4-12-28-52;1-5-21-48(22-6-1)65-73-66(49-23-7-2-8-24-49)76-69(75-65)53-37-35-47(36-38-53)62-61-44-55(58-33-17-29-45-19-13-15-31-56(45)58)43-60(59-34-18-30-46-20-14-16-32-57(46)59)63(61)72-64(71-62)52-39-41-54(42-40-52)70-77-67(50-25-9-3-10-26-50)74-68(78-70)51-27-11-4-12-28-51/h1-48H;2*1-46H;1-44H
InChIKeyALWXHVXSGIJFIH-UHFFFAOYSA-N
XLogP72.74
TPSA309.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds40
Heavy Atoms312
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003980.81
LogP ≤ 572.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline with MolForge

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Related Compounds

9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2,4-diphenylbenzo[h]quinazoline
CID 155364712
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771
2,4,6,8-tetraphenylquinazoline
CID 143301080
4-(4-phenylphenyl)-6,8-di(pyren-1-yl)-2-(4-pyridin-2-ylphenyl)quinazoline
CID 146332327
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583274
2-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 159163792
2,4-diphenyl-9-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[h]quinazoline
CID 155364604
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]phenyl]phenanthridine
CID 129201356
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431
2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline
CID 155364610

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline?
The IUPAC name of 2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline (CID 157156719) is 2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline.
What is the SMILES notation for 2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline?
The canonical SMILES for 2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline is c1ccc(-c2cc(-c3ccc(-c4nc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5n4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc5)nc5c(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)cc45)cc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)cc5)c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5n4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4nc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5n4)cc3)n2)cc1.
What is the InChIKey of 2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline?
The InChIKey is ALWXHVXSGIJFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N4.2C72H46N6.C70H44N8/c1-5-19-49(20-6-1)59-45-68(53-23-7-2-8-24-53)76-71(46-59)56-37-39-57(40-38-56)72-67-44-61(64-33-17-29-51-21-13-15-31-62(51)64)43-66(65-34-18-30-52-22-14-16-32-63(52)65)73(67)78-74(77-72)58-41-35-50(36-42-58)60-47-69(54-25-9-3-10-26-54)75-70(48-60)55-27-11-4-12-28-55;1-5-21-49(22-6-1)64-45-66(75-70(73-64)54-25-9-3-10-26-54)51-35-39-53(40-36-51)68-63-44-57(60-33-17-29-47-19-13-15-31-58(47)60)43-62(61-34-18-30-48-20-14-16-32-59(48)61)69(63)78-72(77-68)56-41-37-52(38-42-56)67-46-65(50-23-7-2-8-24-50)74-71(76-67)55-27-11-4-12-28-55;1-5-21-49(22-6-1)64-45-65(50-23-7-2-8-24-50)74-70(73-64)54-37-35-53(36-38-54)68-63-44-57(60-33-17-29-47-19-13-15-31-58(47)60)43-62(61-34-18-30-48-20-14-16-32-59(48)61)69(63)78-72(77-68)56-41-39-55(40-42-56)71-75-66(51-25-9-3-10-26-51)46-67(76-71)52-27-11-4-12-28-52;1-5-21-48(22-6-1)65-73-66(49-23-7-2-8-24-49)76-69(75-65)53-37-35-47(36-38-53)62-61-44-55(58-33-17-29-45-19-13-15-31-56(45)58)43-60(59-34-18-30-46-20-14-16-32-57(46)59)63(61)72-64(71-62)52-39-41-54(42-40-52)70-77-67(50-25-9-3-10-26-50)74-68(78-70)51-27-11-4-12-28-51/h1-48H;2*1-46H;1-44H.
What are the key properties of 2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline?
2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline has a molecular weight of 3980.81 g/mol, XLogP of 72.74, 40 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline is sourced from PubChem (CID 157156719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).