5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline

C259H179N9 — CID 162021626

IUPAC5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline
SMILESCC1(C)c2cc(-c3cc(-c4ccccc4)ncn3)ccc2-c2ccc3c4ccccc4c4ccccc4c3c21.CC1(C)c2cc(-c3ccc(-c4ccc5ccccc5n4)cc3)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2cc(-c3ccc(-c4cccc5ccccc45)nc3)ccc2-c2ccc3c4ccccc4c4ccccc4c3c21.CC1(C)c2cc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)cc3)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2cc(-c3cccc(-c4ccccc4)n3)ccc2-c2ccc3c4ccccc4c4ccccc4c3c21.CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c3)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21
InChIInChI=1S/C53H36N2.C47H32N2.2C42H29N.C38H27N.C37H26N2/c1-53(2)48-30-38(28-29-43(48)47-31-45-41-16-8-6-14-39(41)40-15-7-9-17-42(40)46(45)32-49(47)53)35-22-26-37(27-23-35)52-54-50-19-11-10-18-44(50)51(55-52)36-24-20-34(21-25-36)33-12-4-3-5-13-33;1-47(2)42-26-31(30-15-12-16-32(25-30)46-48-44-22-11-10-21-38(44)45(49-46)29-13-4-3-5-14-29)23-24-37(42)41-27-39-35-19-8-6-17-33(35)34-18-7-9-20-36(34)40(39)28-43(41)47;1-42(2)38-23-29(26-15-17-28(18-16-26)41-22-20-27-9-3-8-14-40(27)43-41)19-21-34(38)37-24-35-32-12-6-4-10-30(32)31-11-5-7-13-33(31)36(35)25-39(37)42;1-42(2)38-24-27(28-19-23-39(43-25-28)34-17-9-11-26-10-3-4-12-29(26)34)18-20-33(38)37-22-21-36-32-15-6-5-13-30(32)31-14-7-8-16-35(31)40(36)41(37)42;1-38(2)33-23-25(35-18-10-17-34(39-35)24-11-4-3-5-12-24)19-20-29(33)32-22-21-31-28-15-7-6-13-26(28)27-14-8-9-16-30(27)36(31)37(32)38;1-37(2)32-20-24(34-21-33(38-22-39-34)23-10-4-3-5-11-23)16-17-28(32)31-19-18-30-27-14-7-6-12-25(27)26-13-8-9-15-29(26)35(30)36(31)37/h3-32H,1-2H3;3-28H,1-2H3;2*3-25H,1-2H3;3-23H,1-2H3;3-22H,1-2H3
InChIKeyYUUZZYWOYAGCGJ-UHFFFAOYSA-N
MW3417.34 g/mol
LogP68.89
Rot. Bonds15

About 5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline

5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline (PubChem CID 162021626) has the molecular formula C259H179N9 and a molecular weight of 3417.34 g/mol. Its IUPAC name is 5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline.

Molecular Properties

Compound Name5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline
PubChem CID162021626
Molecular FormulaC259H179N9
Molecular Weight3417.34 g/mol
Exact Mass3414.43
IUPAC Name5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline
SMILESCC1(C)c2cc(-c3cc(-c4ccccc4)ncn3)ccc2-c2ccc3c4ccccc4c4ccccc4c3c21.CC1(C)c2cc(-c3ccc(-c4ccc5ccccc5n4)cc3)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2cc(-c3ccc(-c4cccc5ccccc45)nc3)ccc2-c2ccc3c4ccccc4c4ccccc4c3c21.CC1(C)c2cc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)cc3)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2cc(-c3cccc(-c4ccccc4)n3)ccc2-c2ccc3c4ccccc4c4ccccc4c3c21.CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c3)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21
InChIInChI=1S/C53H36N2.C47H32N2.2C42H29N.C38H27N.C37H26N2/c1-53(2)48-30-38(28-29-43(48)47-31-45-41-16-8-6-14-39(41)40-15-7-9-17-42(40)46(45)32-49(47)53)35-22-26-37(27-23-35)52-54-50-19-11-10-18-44(50)51(55-52)36-24-20-34(21-25-36)33-12-4-3-5-13-33;1-47(2)42-26-31(30-15-12-16-32(25-30)46-48-44-22-11-10-21-38(44)45(49-46)29-13-4-3-5-14-29)23-24-37(42)41-27-39-35-19-8-6-17-33(35)34-18-7-9-20-36(34)40(39)28-43(41)47;1-42(2)38-23-29(26-15-17-28(18-16-26)41-22-20-27-9-3-8-14-40(27)43-41)19-21-34(38)37-24-35-32-12-6-4-10-30(32)31-11-5-7-13-33(31)36(35)25-39(37)42;1-42(2)38-24-27(28-19-23-39(43-25-28)34-17-9-11-26-10-3-4-12-29(26)34)18-20-33(38)37-22-21-36-32-15-6-5-13-30(32)31-14-7-8-16-35(31)40(36)41(37)42;1-38(2)33-23-25(35-18-10-17-34(39-35)24-11-4-3-5-12-24)19-20-29(33)32-22-21-31-28-15-7-6-13-26(28)27-14-8-9-16-30(27)36(31)37(32)38;1-37(2)32-20-24(34-21-33(38-22-39-34)23-10-4-3-5-11-23)16-17-28(32)31-19-18-30-27-14-7-6-12-25(27)26-13-8-9-15-29(26)35(30)36(31)37/h3-32H,1-2H3;3-28H,1-2H3;2*3-25H,1-2H3;3-23H,1-2H3;3-22H,1-2H3
InChIKeyYUUZZYWOYAGCGJ-UHFFFAOYSA-N
XLogP68.89
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms268
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003417.34
LogP ≤ 568.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline?
The IUPAC name of 5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline (CID 162021626) is 5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline.
What is the SMILES notation for 5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline?
The canonical SMILES for 5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline is CC1(C)c2cc(-c3cc(-c4ccccc4)ncn3)ccc2-c2ccc3c4ccccc4c4ccccc4c3c21.CC1(C)c2cc(-c3ccc(-c4ccc5ccccc5n4)cc3)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2cc(-c3ccc(-c4cccc5ccccc45)nc3)ccc2-c2ccc3c4ccccc4c4ccccc4c3c21.CC1(C)c2cc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)cc3)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21.CC1(C)c2cc(-c3cccc(-c4ccccc4)n3)ccc2-c2ccc3c4ccccc4c4ccccc4c3c21.CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)c5ccccc5n4)c3)ccc2-c2cc3c4ccccc4c4ccccc4c3cc21.
What is the InChIKey of 5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline?
The InChIKey is YUUZZYWOYAGCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2.C47H32N2.2C42H29N.C38H27N.C37H26N2/c1-53(2)48-30-38(28-29-43(48)47-31-45-41-16-8-6-14-39(41)40-15-7-9-17-42(40)46(45)32-49(47)53)35-22-26-37(27-23-35)52-54-50-19-11-10-18-44(50)51(55-52)36-24-20-34(21-25-36)33-12-4-3-5-13-33;1-47(2)42-26-31(30-15-12-16-32(25-30)46-48-44-22-11-10-21-38(44)45(49-46)29-13-4-3-5-14-29)23-24-37(42)41-27-39-35-19-8-6-17-33(35)34-18-7-9-20-36(34)40(39)28-43(41)47;1-42(2)38-23-29(26-15-17-28(18-16-26)41-22-20-27-9-3-8-14-40(27)43-41)19-21-34(38)37-24-35-32-12-6-4-10-30(32)31-11-5-7-13-33(31)36(35)25-39(37)42;1-42(2)38-24-27(28-19-23-39(43-25-28)34-17-9-11-26-10-3-4-12-29(26)34)18-20-33(38)37-22-21-36-32-15-6-5-13-30(32)31-14-7-8-16-35(31)40(36)41(37)42;1-38(2)33-23-25(35-18-10-17-34(39-35)24-11-4-3-5-12-24)19-20-29(33)32-22-21-31-28-15-7-6-13-26(28)27-14-8-9-16-30(27)36(31)37(32)38;1-37(2)32-20-24(34-21-33(38-22-39-34)23-10-4-3-5-11-23)16-17-28(32)31-19-18-30-27-14-7-6-12-25(27)26-13-8-9-15-29(26)35(30)36(31)37/h3-32H,1-2H3;3-28H,1-2H3;2*3-25H,1-2H3;3-23H,1-2H3;3-22H,1-2H3.
What are the key properties of 5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline?
5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline has a molecular weight of 3417.34 g/mol, XLogP of 68.89, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-2-naphthalen-1-ylpyridine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-(4-phenylphenyl)quinazoline;2-[3-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]-4-phenylquinazoline;2-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyridine;4-(16,16-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)-6-phenylpyrimidine;2-[4-(23,23-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)phenyl]quinoline is sourced from PubChem (CID 162021626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).