2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole

C236H208N16O8 — CID 157171177

IUPAC2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole
SMILESCC(C)c1ccc(C(C)C)c2oc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8c(C(C)C)ccc(C(C)C)c8o7)cc6)cc5)cc4)cc3)nc12.CCCc1cc2nc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8cc(CCC)c(CCC)cc8o7)cc6)cc5)cc4)cc3)oc2cc1CCC.CCCc1ccc(CCC)c2oc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8c(CCC)ccc(CCC)c8o7)cc6)cc5)cc4)cc3)nc12.CCc1cc2nc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8cc(CC)c(CC)cc8o7)cc6)cc5)cc4)cc3)oc2cc1CC
InChIInChI=1S/3C60H54N4O2.C56H46N4O2/c1-35(2)47-28-30-49(37(5)6)57-55(47)63-59(65-57)45-24-16-41(17-25-45)39-12-20-43(21-13-39)51-32-33-53(52-11-9-10-34-61-52)62-54(51)44-22-14-40(15-23-44)42-18-26-46(27-19-42)60-64-56-48(36(3)4)29-31-50(38(7)8)58(56)66-60;1-5-11-44-28-30-47(13-7-3)57-55(44)63-59(65-57)49-32-20-41(21-33-49)39-16-24-43(25-17-39)51-36-37-53(52-15-9-10-38-61-52)62-54(51)46-26-18-40(19-27-46)42-22-34-50(35-23-42)60-64-56-45(12-6-2)29-31-48(14-8-4)58(56)66-60;1-5-11-47-35-54-56(37-49(47)13-7-3)65-59(63-54)45-28-20-41(21-29-45)39-16-24-43(25-17-39)51-32-33-53(52-15-9-10-34-61-52)62-58(51)44-26-18-40(19-27-44)42-22-30-46(31-23-42)60-64-55-36-48(12-6-2)50(14-8-4)38-57(55)66-60;1-5-35-31-50-52(33-37(35)7-3)61-55(59-50)45-24-16-41(17-25-45)39-12-20-43(21-13-39)47-28-29-49(48-11-9-10-30-57-48)58-54(47)44-22-14-40(15-23-44)42-18-26-46(27-19-42)56-60-51-32-36(6-2)38(8-4)34-53(51)62-56/h9-38H,1-8H3;2*9-10,15-38H,5-8,11-14H2,1-4H3;9-34H,5-8H2,1-4H3
InChIKeyANMCKOSYYLJOLQ-UHFFFAOYSA-N
MW3396.36 g/mol
LogP64.08
Rot. Bonds52

About 2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole

2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole (PubChem CID 157171177) has the molecular formula C236H208N16O8 and a molecular weight of 3396.36 g/mol. Its IUPAC name is 2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole
PubChem CID157171177
Molecular FormulaC236H208N16O8
Molecular Weight3396.36 g/mol
Exact Mass3393.64
IUPAC Name2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole
SMILESCC(C)c1ccc(C(C)C)c2oc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8c(C(C)C)ccc(C(C)C)c8o7)cc6)cc5)cc4)cc3)nc12.CCCc1cc2nc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8cc(CCC)c(CCC)cc8o7)cc6)cc5)cc4)cc3)oc2cc1CCC.CCCc1ccc(CCC)c2oc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8c(CCC)ccc(CCC)c8o7)cc6)cc5)cc4)cc3)nc12.CCc1cc2nc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8cc(CC)c(CC)cc8o7)cc6)cc5)cc4)cc3)oc2cc1CC
InChIInChI=1S/3C60H54N4O2.C56H46N4O2/c1-35(2)47-28-30-49(37(5)6)57-55(47)63-59(65-57)45-24-16-41(17-25-45)39-12-20-43(21-13-39)51-32-33-53(52-11-9-10-34-61-52)62-54(51)44-22-14-40(15-23-44)42-18-26-46(27-19-42)60-64-56-48(36(3)4)29-31-50(38(7)8)58(56)66-60;1-5-11-44-28-30-47(13-7-3)57-55(44)63-59(65-57)49-32-20-41(21-33-49)39-16-24-43(25-17-39)51-36-37-53(52-15-9-10-38-61-52)62-54(51)46-26-18-40(19-27-46)42-22-34-50(35-23-42)60-64-56-45(12-6-2)29-31-48(14-8-4)58(56)66-60;1-5-11-47-35-54-56(37-49(47)13-7-3)65-59(63-54)45-28-20-41(21-29-45)39-16-24-43(25-17-39)51-32-33-53(52-15-9-10-34-61-52)62-58(51)44-26-18-40(19-27-44)42-22-30-46(31-23-42)60-64-55-36-48(12-6-2)50(14-8-4)38-57(55)66-60;1-5-35-31-50-52(33-37(35)7-3)61-55(59-50)45-24-16-41(17-25-45)39-12-20-43(21-13-39)47-28-29-49(48-11-9-10-30-57-48)58-54(47)44-22-14-40(15-23-44)42-18-26-46(27-19-42)56-60-51-32-36(6-2)38(8-4)34-53(51)62-56/h9-38H,1-8H3;2*9-10,15-38H,5-8,11-14H2,1-4H3;9-34H,5-8H2,1-4H3
InChIKeyANMCKOSYYLJOLQ-UHFFFAOYSA-N
XLogP64.08
TPSA311.36 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds52
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003396.36
LogP ≤ 564.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-ylpyridin-3-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958484
2-[4-[4-[2-[4-[4-[5,6-Bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-ylpyridin-3-yl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole
CID 57958515
2-[4-[4-[6-Pyridin-2-yl-2-[4-[4-[4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]pyridin-3-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958541
2-[4-[4-[3-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-ylpyridin-2-yl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 57958577
2-[4-[4-[2-[4-[4-[4,7-Bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-ylpyridin-3-yl]phenyl]phenyl]-4,7-bis(trifluoromethyl)-1,3-benzoxazole
CID 57958641
4-Methyl-2-[4-[4-[2-[4-[4-[7-methyl-4-(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-7-(trifluoromethyl)-1,3-benzoxazole
CID 88590516
4-Methyl-2-[4-[4-[2-[4-[4-[7-methyl-4,5,6-tris(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6,7-tris(trifluoromethyl)-1,3-benzoxazole
CID 88590517
2-[4-[4-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4-methyl-5,6,7-tris(trifluoromethyl)-1,3-benzoxazole
CID 88590518
2-[4-[4-[3-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-7-methyl-4,5,6-tris(trifluoromethyl)-1,3-benzoxazole
CID 88590522
8-[2-[2-[3-Methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]phenyl]-4-[4-[8-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]-4-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-4-[4-[8-[2-[5-[3-methyl-5-(trifluoromethyl)phenyl]-3-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine;8-[2-[6-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]-4-[4-[8-[2-[6-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 157196051
2-[3-[4-[2-[4-[3-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[2-[2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[2-[3-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[5,6-bis(trifluoromethyl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-bis(trifluoromethyl)-1,3-benzoxazole
CID 157737893
2-[4-[3-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 158383395

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole?
The IUPAC name of 2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole (CID 157171177) is 2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole?
The canonical SMILES for 2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole is CC(C)c1ccc(C(C)C)c2oc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8c(C(C)C)ccc(C(C)C)c8o7)cc6)cc5)cc4)cc3)nc12.CCCc1cc2nc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8cc(CCC)c(CCC)cc8o7)cc6)cc5)cc4)cc3)oc2cc1CCC.CCCc1ccc(CCC)c2oc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8c(CCC)ccc(CCC)c8o7)cc6)cc5)cc4)cc3)nc12.CCc1cc2nc(-c3ccc(-c4ccc(-c5ccc(-c6ccccn6)nc5-c5ccc(-c6ccc(-c7nc8cc(CC)c(CC)cc8o7)cc6)cc5)cc4)cc3)oc2cc1CC.
What is the InChIKey of 2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole?
The InChIKey is ANMCKOSYYLJOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C60H54N4O2.C56H46N4O2/c1-35(2)47-28-30-49(37(5)6)57-55(47)63-59(65-57)45-24-16-41(17-25-45)39-12-20-43(21-13-39)51-32-33-53(52-11-9-10-34-61-52)62-54(51)44-22-14-40(15-23-44)42-18-26-46(27-19-42)60-64-56-48(36(3)4)29-31-50(38(7)8)58(56)66-60;1-5-11-44-28-30-47(13-7-3)57-55(44)63-59(65-57)49-32-20-41(21-33-49)39-16-24-43(25-17-39)51-36-37-53(52-15-9-10-38-61-52)62-54(51)46-26-18-40(19-27-46)42-22-34-50(35-23-42)60-64-56-45(12-6-2)29-31-48(14-8-4)58(56)66-60;1-5-11-47-35-54-56(37-49(47)13-7-3)65-59(63-54)45-28-20-41(21-29-45)39-16-24-43(25-17-39)51-32-33-53(52-15-9-10-34-61-52)62-58(51)44-26-18-40(19-27-44)42-22-30-46(31-23-42)60-64-55-36-48(12-6-2)50(14-8-4)38-57(55)66-60;1-5-35-31-50-52(33-37(35)7-3)61-55(59-50)45-24-16-41(17-25-45)39-12-20-43(21-13-39)47-28-29-49(48-11-9-10-30-57-48)58-54(47)44-22-14-40(15-23-44)42-18-26-46(27-19-42)56-60-51-32-36(6-2)38(8-4)34-53(51)62-56/h9-38H,1-8H3;2*9-10,15-38H,5-8,11-14H2,1-4H3;9-34H,5-8H2,1-4H3.
What are the key properties of 2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole?
2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole has a molecular weight of 3396.36 g/mol, XLogP of 64.08, 52 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[4-[4-(5,6-diethyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-diethyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-[4,7-di(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-di(propan-2-yl)-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(4,7-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,7-dipropyl-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(5,6-dipropyl-1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-5,6-dipropyl-1,3-benzoxazole is sourced from PubChem (CID 157171177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).