2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline

C270H156N20 — CID 158787750

IUPAC2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline
SMILESCc1cc(-c2nc(-c3ccc(-c4cccc5cccnc45)c(C)c3)c3cc(-c4ccc5ccc6cccc7ccc4c5c67)cc(-c4ccc5ccc6cccc7ccc4c5c67)c3n2)ccc1-c1cccc2cccnc12.c1cc2ccc3ccc(-c4cc(-c5ccc6ccc7cccc8ccc5c6c78)c5nc(-c6ccc(-c7cnc8ccccc8n7)cc6)nc(-c6ccc(-c7cnc8ccccc8n7)cc6)c5c4)c4ccc(c1)c2c34.c1ccc2c(-c3ccc(-c4nc(-c5ccc(-c6nccc7ccccc67)cc5)c5cc(-c6ccc7ccc8cccc9ccc6c7c89)cc(-c6ccc7ccc8cccc9ccc6c7c89)c5n4)cc3)nccc2c1.c1cncc(-c2ccc(-c3nc(-c4ccc(-c5cccnc5)nc4)c4cc(-c5ccc6ccc7cccc8ccc5c6c78)cc(-c5ccc6ccc7cccc8ccc5c6c78)c4n3)cn2)c1
InChIInChI=1S/C72H44N4.C70H40N4.C68H38N6.C60H34N6/c1-41-37-51(27-29-54(41)60-17-5-13-49-15-7-35-73-68(49)60)70-63-40-53(56-31-23-47-21-19-43-9-3-11-45-25-33-58(56)66(47)64(43)45)39-62(57-32-24-48-22-20-44-10-4-12-46-26-34-59(57)67(48)65(44)46)71(63)76-72(75-70)52-28-30-55(42(2)38-52)61-18-6-14-50-16-8-36-74-69(50)61;1-3-13-55-41(7-1)35-37-71-66(55)49-19-21-51(22-20-49)68-61-40-53(54-31-27-47-17-15-43-9-5-11-45-29-33-58(54)64(47)62(43)45)39-60(57-32-28-48-18-16-44-10-6-12-46-30-34-59(57)65(48)63(44)46)69(61)74-70(73-68)52-25-23-50(24-26-52)67-56-14-4-2-8-42(56)36-38-72-67;1-3-13-58-56(11-1)69-37-60(71-58)39-15-23-47(24-16-39)66-55-36-49(50-31-27-45-21-19-41-7-5-9-43-29-33-52(50)64(45)62(41)43)35-54(51-32-28-46-22-20-42-8-6-10-44-30-34-53(51)65(46)63(42)44)67(55)74-68(73-66)48-25-17-40(18-26-48)61-38-70-57-12-2-4-14-59(57)72-61;1-5-35-11-13-39-15-21-46(48-23-17-37(7-1)54(35)56(39)48)45-29-50(47-22-16-40-14-12-36-6-2-8-38-18-24-49(47)57(40)55(36)38)59-51(30-45)58(43-19-25-52(63-33-43)41-9-3-27-61-31-41)65-60(66-59)44-20-26-53(64-34-44)42-10-4-28-62-32-42/h3-40H,1-2H3;1-40H;1-38H;1-34H
InChIKeyIRWYRRCVPRJTRA-UHFFFAOYSA-N
MW3680.36 g/mol
LogP69.98
Rot. Bonds24

About 2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline

2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline (PubChem CID 158787750) has the molecular formula C270H156N20 and a molecular weight of 3680.36 g/mol. Its IUPAC name is 2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline.

Molecular Properties

Compound Name2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline
PubChem CID158787750
Molecular FormulaC270H156N20
Molecular Weight3680.36 g/mol
Exact Mass3677.28
IUPAC Name2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline
SMILESCc1cc(-c2nc(-c3ccc(-c4cccc5cccnc45)c(C)c3)c3cc(-c4ccc5ccc6cccc7ccc4c5c67)cc(-c4ccc5ccc6cccc7ccc4c5c67)c3n2)ccc1-c1cccc2cccnc12.c1cc2ccc3ccc(-c4cc(-c5ccc6ccc7cccc8ccc5c6c78)c5nc(-c6ccc(-c7cnc8ccccc8n7)cc6)nc(-c6ccc(-c7cnc8ccccc8n7)cc6)c5c4)c4ccc(c1)c2c34.c1ccc2c(-c3ccc(-c4nc(-c5ccc(-c6nccc7ccccc67)cc5)c5cc(-c6ccc7ccc8cccc9ccc6c7c89)cc(-c6ccc7ccc8cccc9ccc6c7c89)c5n4)cc3)nccc2c1.c1cncc(-c2ccc(-c3nc(-c4ccc(-c5cccnc5)nc4)c4cc(-c5ccc6ccc7cccc8ccc5c6c78)cc(-c5ccc6ccc7cccc8ccc5c6c78)c4n3)cn2)c1
InChIInChI=1S/C72H44N4.C70H40N4.C68H38N6.C60H34N6/c1-41-37-51(27-29-54(41)60-17-5-13-49-15-7-35-73-68(49)60)70-63-40-53(56-31-23-47-21-19-43-9-3-11-45-25-33-58(56)66(47)64(43)45)39-62(57-32-24-48-22-20-44-10-4-12-46-26-34-59(57)67(48)65(44)46)71(63)76-72(75-70)52-28-30-55(42(2)38-52)61-18-6-14-50-16-8-36-74-69(50)61;1-3-13-55-41(7-1)35-37-71-66(55)49-19-21-51(22-20-49)68-61-40-53(54-31-27-47-17-15-43-9-5-11-45-29-33-58(54)64(47)62(43)45)39-60(57-32-28-48-18-16-44-10-6-12-46-30-34-59(57)65(48)63(44)46)69(61)74-70(73-68)52-25-23-50(24-26-52)67-56-14-4-2-8-42(56)36-38-72-67;1-3-13-58-56(11-1)69-37-60(71-58)39-15-23-47(24-16-39)66-55-36-49(50-31-27-45-21-19-41-7-5-9-43-29-33-52(50)64(45)62(41)43)35-54(51-32-28-46-22-20-42-8-6-10-44-30-34-53(51)65(46)63(42)44)67(55)74-68(73-66)48-25-17-40(18-26-48)61-38-70-57-12-2-4-14-59(57)72-61;1-5-35-11-13-39-15-21-46(48-23-17-37(7-1)54(35)56(39)48)45-29-50(47-22-16-40-14-12-36-6-2-8-38-18-24-49(47)57(40)55(36)38)59-51(30-45)58(43-19-25-52(63-33-43)41-9-3-27-61-31-41)65-60(66-59)44-20-26-53(64-34-44)42-10-4-28-62-32-42/h3-40H,1-2H3;1-40H;1-38H;1-34H
InChIKeyIRWYRRCVPRJTRA-UHFFFAOYSA-N
XLogP69.98
TPSA257.80 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms290
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003680.36
LogP ≤ 569.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline with MolForge

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Related Compounds

4-(4-phenylphenyl)-6,8-di(pyren-1-yl)-2-(4-pyridin-2-ylphenyl)quinazoline
CID 146332327
8-(8,8a-dihydropyren-1-yl)-2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6-pyren-1-ylquinazoline
CID 146332581
8-[4-[6-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-quinolin-8-yl-1,3,5-triazin-2-yl]quinoline
CID 146230730
4-[4-(4-methyl-3-pyridinyl)phenyl]-2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidine;2-phenyl-4-(4-pyren-1-ylphenyl)-6-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine;4-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline;2-[4-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 160785074
3-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]quinoline;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline;3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene;3-[3-[10-(3-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 158301384
8-[4-(3-pyridin-3-ylphenyl)-6-[6-[4-(3-pyridin-3-ylphenyl)-6-quinolin-8-yl-1,3,5-triazin-2-yl]pyren-1-yl]-1,3,5-triazin-2-yl]quinoline
CID 146230726
5-[4-[6-[4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]quinoline;5-[4-[6-[4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]quinoline;5-[4-[6-[4,6-bis(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]quinoline;5-[4-(5-phenyl-2-pyridinyl)-6-[6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-5-yl-1,3,5-triazin-2-yl]pyren-1-yl]-1,3,5-triazin-2-yl]quinoline;5-[4-(3-pyridin-2-ylphenyl)-6-[6-[4-(3-pyridin-2-ylphenyl)-6-quinolin-5-yl-1,3,5-triazin-2-yl]pyren-1-yl]-1,3,5-triazin-2-yl]quinoline;5-[4-(3-pyridin-3-ylphenyl)-6-[6-[4-(3-pyridin-3-ylphenyl)-6-quinolin-5-yl-1,3,5-triazin-2-yl]pyren-1-yl]-1,3,5-triazin-2-yl]quinoline;5-[4-(3-pyridin-4-ylphenyl)-6-[6-[4-(3-pyridin-4-ylphenyl)-6-quinolin-5-yl-1,3,5-triazin-2-yl]pyren-1-yl]-1,3,5-triazin-2-yl]quinoline;5-[4-(4-pyridin-4-ylphenyl)-6-[6-[4-(4-pyridin-4-ylphenyl)-6-quinolin-5-yl-1,3,5-triazin-2-yl]pyren-1-yl]-1,3,5-triazin-2-yl]quinoline
CID 158617084
3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine
CID 144553841
4-phenyl-6-(4-pyren-1-ylphenyl)-2-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine
CID 130263623
2-pyridin-3-yl-9-(6-quinolin-3-ylpyren-1-yl)-1,10-phenanthroline
CID 134167770
8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 160773519
3-[2-[3-(6-phenylpyren-1-yl)phenyl]-6-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]quinoline
CID 118314083

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline?
The IUPAC name of 2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline (CID 158787750) is 2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline.
What is the SMILES notation for 2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline?
The canonical SMILES for 2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline is Cc1cc(-c2nc(-c3ccc(-c4cccc5cccnc45)c(C)c3)c3cc(-c4ccc5ccc6cccc7ccc4c5c67)cc(-c4ccc5ccc6cccc7ccc4c5c67)c3n2)ccc1-c1cccc2cccnc12.c1cc2ccc3ccc(-c4cc(-c5ccc6ccc7cccc8ccc5c6c78)c5nc(-c6ccc(-c7cnc8ccccc8n7)cc6)nc(-c6ccc(-c7cnc8ccccc8n7)cc6)c5c4)c4ccc(c1)c2c34.c1ccc2c(-c3ccc(-c4nc(-c5ccc(-c6nccc7ccccc67)cc5)c5cc(-c6ccc7ccc8cccc9ccc6c7c89)cc(-c6ccc7ccc8cccc9ccc6c7c89)c5n4)cc3)nccc2c1.c1cncc(-c2ccc(-c3nc(-c4ccc(-c5cccnc5)nc4)c4cc(-c5ccc6ccc7cccc8ccc5c6c78)cc(-c5ccc6ccc7cccc8ccc5c6c78)c4n3)cn2)c1.
What is the InChIKey of 2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline?
The InChIKey is IRWYRRCVPRJTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N4.C70H40N4.C68H38N6.C60H34N6/c1-41-37-51(27-29-54(41)60-17-5-13-49-15-7-35-73-68(49)60)70-63-40-53(56-31-23-47-21-19-43-9-3-11-45-25-33-58(56)66(47)64(43)45)39-62(57-32-24-48-22-20-44-10-4-12-46-26-34-59(57)67(48)65(44)46)71(63)76-72(75-70)52-28-30-55(42(2)38-52)61-18-6-14-50-16-8-36-74-69(50)61;1-3-13-55-41(7-1)35-37-71-66(55)49-19-21-51(22-20-49)68-61-40-53(54-31-27-47-17-15-43-9-5-11-45-29-33-58(54)64(47)62(43)45)39-60(57-32-28-48-18-16-44-10-6-12-46-30-34-59(57)65(48)63(44)46)69(61)74-70(73-68)52-25-23-50(24-26-52)67-56-14-4-2-8-42(56)36-38-72-67;1-3-13-58-56(11-1)69-37-60(71-58)39-15-23-47(24-16-39)66-55-36-49(50-31-27-45-21-19-41-7-5-9-43-29-33-52(50)64(45)62(41)43)35-54(51-32-28-46-22-20-42-8-6-10-44-30-34-53(51)65(46)63(42)44)67(55)74-68(73-66)48-25-17-40(18-26-48)61-38-70-57-12-2-4-14-59(57)72-61;1-5-35-11-13-39-15-21-46(48-23-17-37(7-1)54(35)56(39)48)45-29-50(47-22-16-40-14-12-36-6-2-8-38-18-24-49(47)57(40)55(36)38)59-51(30-45)58(43-19-25-52(63-33-43)41-9-3-27-61-31-41)65-60(66-59)44-20-26-53(64-34-44)42-10-4-28-62-32-42/h3-40H,1-2H3;1-40H;1-38H;1-34H.
What are the key properties of 2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline?
2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline has a molecular weight of 3680.36 g/mol, XLogP of 69.98, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-isoquinolin-1-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;2,4-bis(3-methyl-4-quinolin-8-ylphenyl)-6,8-di(pyren-1-yl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(6-pyridin-3-yl-3-pyridinyl)quinazoline;6,8-di(pyren-1-yl)-2,4-bis(4-quinoxalin-2-ylphenyl)quinazoline is sourced from PubChem (CID 158787750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).