2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline

C209H126N26 — CID 159086204

IUPAC2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline
SMILESc1ccc(-n2c(-c3cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)c3)nc3c4ccccc4c4ccccc4c32)cc1.c1ccc(-n2c(-c3cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)c3)nc3c4cccnc4c4ncccc4c32)cc1.c1ccc(-n2c(-c3cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)c3)nc3ccccc32)cc1
InChIInChI=1S/C73H44N8.C71H42N10.C65H40N8/c1-2-24-54(25-3-1)81-72-58-29-7-5-27-56(58)55-26-4-6-28-57(55)71(72)80-73(81)53-39-49(51-41-63(59-30-8-16-45-20-12-34-74-67(45)59)78-64(42-51)60-31-9-17-46-21-13-35-75-68(46)60)38-50(40-53)52-43-65(61-32-10-18-47-22-14-36-76-69(47)61)79-66(44-52)62-33-11-19-48-23-15-37-77-70(48)62;1-2-22-52(23-3-1)81-70-58-29-13-35-77-68(58)67-57(28-12-34-76-67)69(70)80-71(81)51-37-47(49-39-59(53-24-4-14-43-18-8-30-72-63(43)53)78-60(40-49)54-25-5-15-44-19-9-31-73-64(44)54)36-48(38-51)50-41-61(55-26-6-16-45-20-10-32-74-65(45)55)79-62(42-50)56-27-7-17-46-21-11-33-75-66(46)56;1-2-22-50(23-3-1)73-60-29-5-4-28-55(60)72-65(73)49-35-45(47-37-56(51-24-6-14-41-18-10-30-66-61(41)51)70-57(38-47)52-25-7-15-42-19-11-31-67-62(42)52)34-46(36-49)48-39-58(53-26-8-16-43-20-12-32-68-63(43)53)71-59(40-48)54-27-9-17-44-21-13-33-69-64(44)54/h1-44H;1-42H;1-40H
InChIKeyKBLZEBXASZSAHA-UHFFFAOYSA-N
MW3001.49 g/mol
LogP50.43
Rot. Bonds24

About 2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline

2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline (PubChem CID 159086204) has the molecular formula C209H126N26 and a molecular weight of 3001.49 g/mol. Its IUPAC name is 2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline.

Molecular Properties

Compound Name2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline
PubChem CID159086204
Molecular FormulaC209H126N26
Molecular Weight3001.49 g/mol
Exact Mass2999.07
IUPAC Name2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline
SMILESc1ccc(-n2c(-c3cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)c3)nc3c4ccccc4c4ccccc4c32)cc1.c1ccc(-n2c(-c3cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)c3)nc3c4cccnc4c4ncccc4c32)cc1.c1ccc(-n2c(-c3cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)c3)nc3ccccc32)cc1
InChIInChI=1S/C73H44N8.C71H42N10.C65H40N8/c1-2-24-54(25-3-1)81-72-58-29-7-5-27-56(58)55-26-4-6-28-57(55)71(72)80-73(81)53-39-49(51-41-63(59-30-8-16-45-20-12-34-74-67(45)59)78-64(42-51)60-31-9-17-46-21-13-35-75-68(46)60)38-50(40-53)52-43-65(61-32-10-18-47-22-14-36-76-69(47)61)79-66(44-52)62-33-11-19-48-23-15-37-77-70(48)62;1-2-22-52(23-3-1)81-70-58-29-13-35-77-68(58)67-57(28-12-34-76-67)69(70)80-71(81)51-37-47(49-39-59(53-24-4-14-43-18-8-30-72-63(43)53)78-60(40-49)54-25-5-15-44-19-9-31-73-64(44)54)36-48(38-51)50-41-61(55-26-6-16-45-20-10-32-74-65(45)55)79-62(42-50)56-27-7-17-46-21-11-33-75-66(46)56;1-2-22-50(23-3-1)73-60-29-5-4-28-55(60)72-65(73)49-35-45(47-37-56(51-24-6-14-41-18-10-30-66-61(41)51)70-57(38-47)52-25-7-15-42-19-11-31-67-62(42)52)34-46(36-49)48-39-58(53-26-8-16-43-20-12-32-68-63(43)53)71-59(40-48)54-27-9-17-44-21-13-33-69-64(44)54/h1-44H;1-42H;1-40H
InChIKeyKBLZEBXASZSAHA-UHFFFAOYSA-N
XLogP50.43
TPSA311.26 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms235
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003001.49
LogP ≤ 550.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline with MolForge

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Related Compounds

2-[3,5-bis(6-phenyl-2-quinolin-8-ylpyrimidin-4-yl)phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline
CID 89279933
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 146976715
2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline;2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;3-[4-phenyl-6-[3-(1-phenylbenzimidazol-2-yl)-5-(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]pyrimidin-2-yl]quinoline
CID 159316411
2-[3,5-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-1,3-benzoxazole;2-[3,5-bis(2,6-diphenylpyrimidin-4-yl)phenyl]phenanthro[9,10-d][1,3]oxazole;2-[3,5-bis[4,6-di(quinolin-8-yl)pyrimidin-2-yl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline
CID 158859908
9-phenyl-1-[3-(9-phenylcarbazol-1-yl)-5-quinolin-8-ylphenyl]carbazole
CID 71127134
6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 155792535
2-[3,5-bis(4,6-diphenyl-2-pyridinyl)phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 89279828
2-[3,5-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]-3-phenylphenanthro[9,10-d]imidazole;2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1,3-benzoxazole
CID 158483415
2-[3,5-bis(6-phenyl-2-quinolin-3-ylpyrimidin-4-yl)phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline
CID 89279930
5,8-bis[4-(2-naphthalen-1-ylbenzimidazol-1-yl)phenyl]quinoline
CID 138705133
2-[3,5-bis(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]-1-phenylbenzimidazole
CID 71104991

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline?
The IUPAC name of 2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline (CID 159086204) is 2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline.
What is the SMILES notation for 2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline?
The canonical SMILES for 2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline is c1ccc(-n2c(-c3cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)c3)nc3c4ccccc4c4ccccc4c32)cc1.c1ccc(-n2c(-c3cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)c3)nc3c4cccnc4c4ncccc4c32)cc1.c1ccc(-n2c(-c3cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)cc(-c4cc(-c5cccc6cccnc56)nc(-c5cccc6cccnc56)c4)c3)nc3ccccc32)cc1.
What is the InChIKey of 2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline?
The InChIKey is KBLZEBXASZSAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44N8.C71H42N10.C65H40N8/c1-2-24-54(25-3-1)81-72-58-29-7-5-27-56(58)55-26-4-6-28-57(55)71(72)80-73(81)53-39-49(51-41-63(59-30-8-16-45-20-12-34-74-67(45)59)78-64(42-51)60-31-9-17-46-21-13-35-75-68(46)60)38-50(40-53)52-43-65(61-32-10-18-47-22-14-36-76-69(47)61)79-66(44-52)62-33-11-19-48-23-15-37-77-70(48)62;1-2-22-52(23-3-1)81-70-58-29-13-35-77-68(58)67-57(28-12-34-76-67)69(70)80-71(81)51-37-47(49-39-59(53-24-4-14-43-18-8-30-72-63(43)53)78-60(40-49)54-25-5-15-44-19-9-31-73-64(44)54)36-48(38-51)50-41-61(55-26-6-16-45-20-10-32-74-65(45)55)79-62(42-50)56-27-7-17-46-21-11-33-75-66(46)56;1-2-22-50(23-3-1)73-60-29-5-4-28-55(60)72-65(73)49-35-45(47-37-56(51-24-6-14-41-18-10-30-66-61(41)51)70-57(38-47)52-25-7-15-42-19-11-31-67-62(42)52)34-46(36-49)48-39-58(53-26-8-16-43-20-12-32-68-63(43)53)71-59(40-48)54-27-9-17-44-21-13-33-69-64(44)54/h1-44H;1-42H;1-40H.
What are the key properties of 2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline?
2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline has a molecular weight of 3001.49 g/mol, XLogP of 50.43, 24 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylimidazo[4,5-f][1,10]phenanthroline;2-[3,5-bis[2,6-di(quinolin-8-yl)-4-pyridinyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole;8-[4-[3-[2,6-di(quinolin-8-yl)-4-pyridinyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-6-quinolin-8-yl-2-pyridinyl]quinoline is sourced from PubChem (CID 159086204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).