4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine

C261H210N12 — CID 160924050

IUPAC4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
SMILESCCC(C)c1cccc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(-c6cc(C)cc(C)c6)c5)n4)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6C)c5)n4)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3ccccc3-c3nc(-c4ccccc4)ncc3-c3cccc(-c4ccccc4C)c3)c2)c1.Cc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(C)cc(C)c6)c5)c4)n3)c2)cc1.Cc1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5cccc(-c6cc(C)cc(C)c6)c5)c4)n3)c2)cc1.Cc1cccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cc(C)cc(C)c6)c5)nc(-c5ccccc5)n4)c3)c2)c1
InChIInChI=1S/C46H40N2.5C43H34N2/c1-5-33(4)35-15-9-16-36(26-35)37-17-10-18-38(27-37)39-19-11-21-41(28-39)45-30-44(34-13-7-6-8-14-34)47-46(48-45)42-22-12-20-40(29-42)43-24-31(2)23-32(3)25-43;1-29-11-7-14-33(22-29)34-15-8-16-35(25-34)36-17-9-19-38(26-36)41-28-42(45-43(44-41)32-12-5-4-6-13-32)39-20-10-18-37(27-39)40-23-30(2)21-31(3)24-40;1-29-18-20-32(21-19-29)34-12-9-17-39(27-34)43-44-41(33-10-5-4-6-11-33)28-42(45-43)38-16-8-14-36(26-38)35-13-7-15-37(25-35)40-23-30(2)22-31(3)24-40;1-29-18-20-32(21-19-29)34-12-8-16-38(26-34)42-28-41(33-10-5-4-6-11-33)44-43(45-42)39-17-9-14-36(27-39)35-13-7-15-37(25-35)40-23-30(2)22-31(3)24-40;1-29-22-30(2)24-39(23-29)35-17-9-15-33(25-35)34-16-10-20-38(26-34)43-44-41(32-13-5-4-6-14-32)28-42(45-43)37-19-11-18-36(27-37)40-21-8-7-12-31(40)3;1-29-23-30(2)25-37(24-29)33-16-11-18-35(26-33)39-21-9-10-22-40(39)42-41(28-44-43(45-42)32-14-5-4-6-15-32)36-19-12-17-34(27-36)38-20-8-7-13-31(38)3/h6-30,33H,5H2,1-4H3;5*4-28H,1-3H3
InChIKeySSKKFIKOKICQBP-UHFFFAOYSA-N
MW3514.63 g/mol
LogP69.63
Rot. Bonds38

About 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine

4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine (PubChem CID 160924050) has the molecular formula C261H210N12 and a molecular weight of 3514.63 g/mol. Its IUPAC name is 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
PubChem CID160924050
Molecular FormulaC261H210N12
Molecular Weight3514.63 g/mol
Exact Mass3511.68
IUPAC Name4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
SMILESCCC(C)c1cccc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(-c6cc(C)cc(C)c6)c5)n4)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6C)c5)n4)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3ccccc3-c3nc(-c4ccccc4)ncc3-c3cccc(-c4ccccc4C)c3)c2)c1.Cc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(C)cc(C)c6)c5)c4)n3)c2)cc1.Cc1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5cccc(-c6cc(C)cc(C)c6)c5)c4)n3)c2)cc1.Cc1cccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cc(C)cc(C)c6)c5)nc(-c5ccccc5)n4)c3)c2)c1
InChIInChI=1S/C46H40N2.5C43H34N2/c1-5-33(4)35-15-9-16-36(26-35)37-17-10-18-38(27-37)39-19-11-21-41(28-39)45-30-44(34-13-7-6-8-14-34)47-46(48-45)42-22-12-20-40(29-42)43-24-31(2)23-32(3)25-43;1-29-11-7-14-33(22-29)34-15-8-16-35(25-34)36-17-9-19-38(26-36)41-28-42(45-43(44-41)32-12-5-4-6-13-32)39-20-10-18-37(27-39)40-23-30(2)21-31(3)24-40;1-29-18-20-32(21-19-29)34-12-9-17-39(27-34)43-44-41(33-10-5-4-6-11-33)28-42(45-43)38-16-8-14-36(26-38)35-13-7-15-37(25-35)40-23-30(2)22-31(3)24-40;1-29-18-20-32(21-19-29)34-12-8-16-38(26-34)42-28-41(33-10-5-4-6-11-33)44-43(45-42)39-17-9-14-36(27-39)35-13-7-15-37(25-35)40-23-30(2)22-31(3)24-40;1-29-22-30(2)24-39(23-29)35-17-9-15-33(25-35)34-16-10-20-38(26-34)43-44-41(32-13-5-4-6-14-32)28-42(45-43)37-19-11-18-36(27-37)40-21-8-7-12-31(40)3;1-29-23-30(2)25-37(24-29)33-16-11-18-35(26-33)39-21-9-10-22-40(39)42-41(28-44-43(45-42)32-14-5-4-6-15-32)36-19-12-17-34(27-36)38-20-8-7-13-31(38)3/h6-30,33H,5H2,1-4H3;5*4-28H,1-3H3
InChIKeySSKKFIKOKICQBP-UHFFFAOYSA-N
XLogP69.63
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds38
Heavy Atoms273
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003514.63
LogP ≤ 569.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine with MolForge

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Related Compounds

4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine
CID 91096152
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine
CID 59552748
2-(4-methylphenyl)-4,6-diphenylpyrimidine;4-(4-methylphenyl)-2,6-diphenylpyrimidine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyridine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyridine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 159145948
4-butan-2-yl-1,2-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)phenyl]benzene;2-methyl-1,4-bis[3-(3-methylphenyl)phenyl]benzene;1-methyl-3,5-bis[3-(3-methylphenyl)-5-phenylphenyl]benzene;1-methyl-3,5-bis[3-(4-methylphenyl)-5-phenylphenyl]benzene;1-[2-methyl-4-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-3-(3-methylphenyl)-5-phenylbenzene
CID 161054987
4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine
CID 59552862
2-[3,5-bis[3-(3-methylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3,5-bis[3-(3-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine;2-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;5-[3,5-bis[3-(4-methylphenyl)phenyl]phenyl]-2-octylpyrimidine;4-[3,5-bis[3-(2-methylphenyl)phenyl]phenyl]-2-phenyl-6-pyridin-2-ylpyrimidine;2-[3,5-bis[3-(3-methylphenyl)phenyl]phenyl]-5-phenylpyrimidine;4-[3-(3-methylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine
CID 159501503
2-[6-[4-[2-(3,5-dimethylphenyl)phenyl]-3-(3-phenylphenyl)phenyl]-3-pyridinyl]-4,6-diphenylpyrimidine
CID 140839015
2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162112872
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 129023209
1-methyl-2-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-2-phenyl-4-(4-phenylphenyl)benzene;1-methyl-3-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-phenyl-5-(4-phenylphenyl)benzene;1-methyl-4-[3-(4-phenylphenyl)phenyl]benzene
CID 159186914
2-methyl-1,3-diphenylbenzene;1-methyl-2-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-phenyl-5-(4-phenylphenyl)benzene;1-methyl-4-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[3-(4-phenylphenyl)phenyl]benzene
CID 165013304
ethane;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-2-(4-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-3-(4-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene
CID 158292689

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine?
The IUPAC name of 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine (CID 160924050) is 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine.
What is the SMILES notation for 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine?
The canonical SMILES for 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine is CCC(C)c1cccc(-c2cccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(-c6cc(C)cc(C)c6)c5)n4)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccccc6C)c5)n4)c3)c2)c1.Cc1cc(C)cc(-c2cccc(-c3ccccc3-c3nc(-c4ccccc4)ncc3-c3cccc(-c4ccccc4C)c3)c2)c1.Cc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(C)cc(C)c6)c5)c4)n3)c2)cc1.Cc1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5cccc(-c6cc(C)cc(C)c6)c5)c4)n3)c2)cc1.Cc1cccc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cc(C)cc(C)c6)c5)nc(-c5ccccc5)n4)c3)c2)c1.
What is the InChIKey of 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine?
The InChIKey is SSKKFIKOKICQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N2.5C43H34N2/c1-5-33(4)35-15-9-16-36(26-35)37-17-10-18-38(27-37)39-19-11-21-41(28-39)45-30-44(34-13-7-6-8-14-34)47-46(48-45)42-22-12-20-40(29-42)43-24-31(2)23-32(3)25-43;1-29-11-7-14-33(22-29)34-15-8-16-35(25-34)36-17-9-19-38(26-36)41-28-42(45-43(44-41)32-12-5-4-6-13-32)39-20-10-18-37(27-39)40-23-30(2)21-31(3)24-40;1-29-18-20-32(21-19-29)34-12-9-17-39(27-34)43-44-41(33-10-5-4-6-11-33)28-42(45-43)38-16-8-14-36(26-38)35-13-7-15-37(25-35)40-23-30(2)22-31(3)24-40;1-29-18-20-32(21-19-29)34-12-8-16-38(26-34)42-28-41(33-10-5-4-6-11-33)44-43(45-42)39-17-9-14-36(27-39)35-13-7-15-37(25-35)40-23-30(2)22-31(3)24-40;1-29-22-30(2)24-39(23-29)35-17-9-15-33(25-35)34-16-10-20-38(26-34)43-44-41(32-13-5-4-6-14-32)28-42(45-43)37-19-11-18-36(27-37)40-21-8-7-12-31(40)3;1-29-23-30(2)25-37(24-29)33-16-11-18-35(26-33)39-21-9-10-22-40(39)42-41(28-44-43(45-42)32-14-5-4-6-15-32)36-19-12-17-34(27-36)38-20-8-7-13-31(38)3/h6-30,33H,5H2,1-4H3;5*4-28H,1-3H3.
What are the key properties of 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine?
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine has a molecular weight of 3514.63 g/mol, XLogP of 69.63, 38 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine is sourced from PubChem (CID 160924050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).