4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline

C232H159N11 — CID 158860777

IUPAC4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline
SMILESCC1(C)c2c(ccc3cc(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)ccc23)-c2c1c1ccccc1c1ccccc21.CC1(C)c2c(ccc3cc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc23)-c2c1c1ccccc1c1ccccc21.CC1(C)c2c(ccc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc23)-c2c1c1ccccc1c1ccccc21.CC1(C)c2c(ccc3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)ccc23)-c2c1c1ccccc1c1ccccc21.CC1(C)c2c(ccc3cc(-c4nc(-c5ccccc5)c5ccccc5n4)ccc23)-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C49H34N2.C48H33N3.2C47H32N2.C41H28N2/c1-49(2)46-37-26-24-34(28-35(37)25-27-42(46)45-40-22-11-9-20-38(40)39-21-10-12-23-41(39)47(45)49)33-18-13-19-36(29-33)44-30-43(31-14-5-3-6-15-31)50-48(51-44)32-16-7-4-8-17-32;1-48(2)43-36-26-24-33(28-34(36)25-27-41(43)42-39-22-11-9-20-37(39)38-21-10-12-23-40(38)44(42)48)32-18-13-19-35(29-32)47-50-45(30-14-5-3-6-15-30)49-46(51-47)31-16-7-4-8-17-31;1-47(2)43-34-26-25-33(28-32(34)24-27-40(43)42-37-16-8-6-14-35(37)36-15-7-9-17-38(36)44(42)47)46-48-41-19-11-10-18-39(41)45(49-46)31-22-20-30(21-23-31)29-12-4-3-5-13-29;1-47(2)43-34-26-24-32(28-33(34)25-27-40(43)42-37-16-8-6-14-35(37)36-15-7-9-17-38(36)44(42)47)29-20-22-31(23-21-29)46-48-41-19-11-10-18-39(41)45(49-46)30-12-4-3-5-13-30;1-41(2)37-28-22-21-27(40-42-35-19-11-10-18-33(35)39(43-40)25-12-4-3-5-13-25)24-26(28)20-23-34(37)36-31-16-8-6-14-29(31)30-15-7-9-17-32(30)38(36)41/h3-30H,1-2H3;3-29H,1-2H3;2*3-28H,1-2H3;3-24H,1-2H3
InChIKeyJAPWYGRCXPIXJW-UHFFFAOYSA-N
MW3100.90 g/mol
LogP60.74
Rot. Bonds16

About 4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline

4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline (PubChem CID 158860777) has the molecular formula C232H159N11 and a molecular weight of 3100.90 g/mol. Its IUPAC name is 4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline.

Molecular Properties

Compound Name4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline
PubChem CID158860777
Molecular FormulaC232H159N11
Molecular Weight3100.90 g/mol
Exact Mass3098.28
IUPAC Name4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline
SMILESCC1(C)c2c(ccc3cc(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)ccc23)-c2c1c1ccccc1c1ccccc21.CC1(C)c2c(ccc3cc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc23)-c2c1c1ccccc1c1ccccc21.CC1(C)c2c(ccc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc23)-c2c1c1ccccc1c1ccccc21.CC1(C)c2c(ccc3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)ccc23)-c2c1c1ccccc1c1ccccc21.CC1(C)c2c(ccc3cc(-c4nc(-c5ccccc5)c5ccccc5n4)ccc23)-c2c1c1ccccc1c1ccccc21
InChIInChI=1S/C49H34N2.C48H33N3.2C47H32N2.C41H28N2/c1-49(2)46-37-26-24-34(28-35(37)25-27-42(46)45-40-22-11-9-20-38(40)39-21-10-12-23-41(39)47(45)49)33-18-13-19-36(29-33)44-30-43(31-14-5-3-6-15-31)50-48(51-44)32-16-7-4-8-17-32;1-48(2)43-36-26-24-33(28-34(36)25-27-41(43)42-39-22-11-9-20-37(39)38-21-10-12-23-40(38)44(42)48)32-18-13-19-35(29-32)47-50-45(30-14-5-3-6-15-30)49-46(51-47)31-16-7-4-8-17-31;1-47(2)43-34-26-25-33(28-32(34)24-27-40(43)42-37-16-8-6-14-35(37)36-15-7-9-17-38(36)44(42)47)46-48-41-19-11-10-18-39(41)45(49-46)31-22-20-30(21-23-31)29-12-4-3-5-13-29;1-47(2)43-34-26-24-32(28-33(34)25-27-40(43)42-37-16-8-6-14-35(37)36-15-7-9-17-38(36)44(42)47)29-20-22-31(23-21-29)46-48-41-19-11-10-18-39(41)45(49-46)30-12-4-3-5-13-30;1-41(2)37-28-22-21-27(40-42-35-19-11-10-18-33(35)39(43-40)25-12-4-3-5-13-25)24-26(28)20-23-34(37)36-31-16-8-6-14-29(31)30-15-7-9-17-32(30)38(36)41/h3-30H,1-2H3;3-29H,1-2H3;2*3-28H,1-2H3;3-24H,1-2H3
InChIKeyJAPWYGRCXPIXJW-UHFFFAOYSA-N
XLogP60.74
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms243
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003100.90
LogP ≤ 560.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline?
The IUPAC name of 4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline (CID 158860777) is 4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline.
What is the SMILES notation for 4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline?
The canonical SMILES for 4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline is CC1(C)c2c(ccc3cc(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)ccc23)-c2c1c1ccccc1c1ccccc21.CC1(C)c2c(ccc3cc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc23)-c2c1c1ccccc1c1ccccc21.CC1(C)c2c(ccc3cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc23)-c2c1c1ccccc1c1ccccc21.CC1(C)c2c(ccc3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)c5ccccc5n4)ccc23)-c2c1c1ccccc1c1ccccc21.CC1(C)c2c(ccc3cc(-c4nc(-c5ccccc5)c5ccccc5n4)ccc23)-c2c1c1ccccc1c1ccccc21.
What is the InChIKey of 4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline?
The InChIKey is JAPWYGRCXPIXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2.C48H33N3.2C47H32N2.C41H28N2/c1-49(2)46-37-26-24-34(28-35(37)25-27-42(46)45-40-22-11-9-20-38(40)39-21-10-12-23-41(39)47(45)49)33-18-13-19-36(29-33)44-30-43(31-14-5-3-6-15-31)50-48(51-44)32-16-7-4-8-17-32;1-48(2)43-36-26-24-33(28-34(36)25-27-41(43)42-39-22-11-9-20-37(39)38-21-10-12-23-40(38)44(42)48)32-18-13-19-35(29-32)47-50-45(30-14-5-3-6-15-30)49-46(51-47)31-16-7-4-8-17-31;1-47(2)43-34-26-25-33(28-32(34)24-27-40(43)42-37-16-8-6-14-35(37)36-15-7-9-17-38(36)44(42)47)46-48-41-19-11-10-18-39(41)45(49-46)31-22-20-30(21-23-31)29-12-4-3-5-13-29;1-47(2)43-34-26-24-32(28-33(34)25-27-40(43)42-37-16-8-6-14-35(37)36-15-7-9-17-38(36)44(42)47)29-20-22-31(23-21-29)46-48-41-19-11-10-18-39(41)45(49-46)30-12-4-3-5-13-30;1-41(2)37-28-22-21-27(40-42-35-19-11-10-18-33(35)39(43-40)25-12-4-3-5-13-25)24-26(28)20-23-34(37)36-31-16-8-6-14-29(31)30-15-7-9-17-32(30)38(36)41/h3-30H,1-2H3;3-29H,1-2H3;2*3-28H,1-2H3;3-24H,1-2H3.
What are the key properties of 4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline?
4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline has a molecular weight of 3100.90 g/mol, XLogP of 60.74, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-2,6-diphenylpyrimidine;2-[3-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)phenyl]-4-phenylquinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-(4-phenylphenyl)quinazoline;2-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-4-phenylquinazoline is sourced from PubChem (CID 158860777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).