2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine

C328H237N35 — CID 157182403

IUPAC2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2C(c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc(-c3ccccc3)n2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)nc(-c4ccccc4)n3)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)n3)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2nc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)c2ccccc21.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/2C58H42N6.C55H38N6.C53H39N5.2C52H38N6/c1-58(2)48-28-12-14-30-52(48)64(53-31-15-13-29-49(53)58)47-34-32-39(33-35-47)50-38-51(60-54(59-50)40-18-6-3-7-19-40)45-26-16-24-43(36-45)44-25-17-27-46(37-44)57-62-55(41-20-8-4-9-21-41)61-56(63-57)42-22-10-5-11-23-42;1-58(2)48-28-12-14-30-52(48)64(53-31-15-13-29-49(53)58)47-34-32-42(33-35-47)56-61-55(41-22-10-5-11-23-41)62-57(63-56)46-27-17-25-44(37-46)43-24-16-26-45(36-43)51-38-50(39-18-6-3-7-19-39)59-54(60-51)40-20-8-4-9-21-40;1-6-18-39(19-7-1)50-38-51(57-52(56-50)42-32-34-49(35-33-42)61(47-28-12-4-13-29-47)48-30-14-5-15-31-48)45-26-16-24-43(36-45)44-25-17-27-46(37-44)55-59-53(40-20-8-2-9-21-40)58-54(60-55)41-22-10-3-11-23-41;1-53(2)44-30-14-12-28-42(44)48(43-29-13-15-31-45(43)53)52-57-50(37-22-10-5-11-23-37)56-51(58-52)41-27-17-25-39(33-41)38-24-16-26-40(32-38)47-34-46(35-18-6-3-7-19-35)54-49(55-47)36-20-8-4-9-21-36;1-52(2)42-28-12-14-30-45(42)58(46-31-15-13-29-43(46)52)47-34-44(53-48(54-47)35-18-6-3-7-19-35)40-26-16-24-38(32-40)39-25-17-27-41(33-39)51-56-49(36-20-8-4-9-21-36)55-50(57-51)37-22-10-5-11-23-37;1-52(2)42-28-12-14-30-46(42)58(47-31-15-13-29-43(47)52)51-53-44(35-18-6-3-7-19-35)34-45(54-51)40-26-16-24-38(32-40)39-25-17-27-41(33-39)50-56-48(36-20-8-4-9-21-36)55-49(57-50)37-22-10-5-11-23-37/h2*3-38H,1-2H3;1-38H;3-34,48H,1-2H3;2*3-34H,1-2H3
InChIKeyAOSJGVDOWFXLIF-UHFFFAOYSA-N
MW4668.75 g/mol
LogP80.71
Rot. Bonds47

About 2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine

2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine (PubChem CID 157182403) has the molecular formula C328H237N35 and a molecular weight of 4668.75 g/mol. Its IUPAC name is 2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine
PubChem CID157182403
Molecular FormulaC328H237N35
Molecular Weight4668.75 g/mol
Exact Mass4664.96
IUPAC Name2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2C(c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc(-c3ccccc3)n2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)nc(-c4ccccc4)n3)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)n3)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2nc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)c2ccccc21.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1
InChIInChI=1S/2C58H42N6.C55H38N6.C53H39N5.2C52H38N6/c1-58(2)48-28-12-14-30-52(48)64(53-31-15-13-29-49(53)58)47-34-32-39(33-35-47)50-38-51(60-54(59-50)40-18-6-3-7-19-40)45-26-16-24-43(36-45)44-25-17-27-46(37-44)57-62-55(41-20-8-4-9-21-41)61-56(63-57)42-22-10-5-11-23-42;1-58(2)48-28-12-14-30-52(48)64(53-31-15-13-29-49(53)58)47-34-32-42(33-35-47)56-61-55(41-22-10-5-11-23-41)62-57(63-56)46-27-17-25-44(37-46)43-24-16-26-45(36-43)51-38-50(39-18-6-3-7-19-39)59-54(60-51)40-20-8-4-9-21-40;1-6-18-39(19-7-1)50-38-51(57-52(56-50)42-32-34-49(35-33-42)61(47-28-12-4-13-29-47)48-30-14-5-15-31-48)45-26-16-24-43(36-45)44-25-17-27-46(37-44)55-59-53(40-20-8-2-9-21-40)58-54(60-55)41-22-10-3-11-23-41;1-53(2)44-30-14-12-28-42(44)48(43-29-13-15-31-45(43)53)52-57-50(37-22-10-5-11-23-37)56-51(58-52)41-27-17-25-39(33-41)38-24-16-26-40(32-38)47-34-46(35-18-6-3-7-19-35)54-49(55-47)36-20-8-4-9-21-36;1-52(2)42-28-12-14-30-45(42)58(46-31-15-13-29-43(46)52)47-34-44(53-48(54-47)35-18-6-3-7-19-35)40-26-16-24-38(32-40)39-25-17-27-41(33-39)51-56-49(36-20-8-4-9-21-36)55-50(57-51)37-22-10-5-11-23-37;1-52(2)42-28-12-14-30-46(42)58(47-31-15-13-29-43(47)52)51-53-44(35-18-6-3-7-19-35)34-45(54-51)40-26-16-24-38(32-40)39-25-17-27-41(33-39)50-56-48(36-20-8-4-9-21-36)55-49(57-50)37-22-10-5-11-23-37/h2*3-38H,1-2H3;1-38H;3-34,48H,1-2H3;2*3-34H,1-2H3
InChIKeyAOSJGVDOWFXLIF-UHFFFAOYSA-N
XLogP80.71
TPSA402.90 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds47
Heavy Atoms363
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004668.75
LogP ≤ 580.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine with MolForge

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Related Compounds

10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-[4-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine;10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 157103657
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
10-[2-(9,9-dimethylacridin-10-yl)-6-phenylpyrimidin-4-yl]-9,9-dimethylacridine
CID 59399668
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
10-[4-[6-[4-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylacridine
CID 121380931
9,9-dimethyl-10-[4-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine
CID 168805920
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine
CID 71007179
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
4-[10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridin-2-yl]aniline
CID 89183043
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
10-[4-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylacridine
CID 163739156

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine?
The IUPAC name of 2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine (CID 157182403) is 2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine?
The canonical SMILES for 2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2C(c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)c2ccccc21.CC1(C)c2ccccc2N(c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc(-c3ccccc3)n2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)nc(-c4ccccc4)n3)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)n3)cc2)c2ccccc21.CC1(C)c2ccccc2N(c2nc(-c3ccccc3)cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)n2)c2ccccc21.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)nc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine?
The InChIKey is AOSJGVDOWFXLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H42N6.C55H38N6.C53H39N5.2C52H38N6/c1-58(2)48-28-12-14-30-52(48)64(53-31-15-13-29-49(53)58)47-34-32-39(33-35-47)50-38-51(60-54(59-50)40-18-6-3-7-19-40)45-26-16-24-43(36-45)44-25-17-27-46(37-44)57-62-55(41-20-8-4-9-21-41)61-56(63-57)42-22-10-5-11-23-42;1-58(2)48-28-12-14-30-52(48)64(53-31-15-13-29-49(53)58)47-34-32-42(33-35-47)56-61-55(41-22-10-5-11-23-41)62-57(63-56)46-27-17-25-44(37-46)43-24-16-26-45(36-43)51-38-50(39-18-6-3-7-19-39)59-54(60-51)40-20-8-4-9-21-40;1-6-18-39(19-7-1)50-38-51(57-52(56-50)42-32-34-49(35-33-42)61(47-28-12-4-13-29-47)48-30-14-5-15-31-48)45-26-16-24-43(36-45)44-25-17-27-46(37-44)55-59-53(40-20-8-2-9-21-40)58-54(60-55)41-22-10-3-11-23-41;1-53(2)44-30-14-12-28-42(44)48(43-29-13-15-31-45(43)53)52-57-50(37-22-10-5-11-23-37)56-51(58-52)41-27-17-25-39(33-41)38-24-16-26-40(32-38)47-34-46(35-18-6-3-7-19-35)54-49(55-47)36-20-8-4-9-21-36;1-52(2)42-28-12-14-30-45(42)58(46-31-15-13-29-43(46)52)47-34-44(53-48(54-47)35-18-6-3-7-19-35)40-26-16-24-38(32-40)39-25-17-27-41(33-39)51-56-49(36-20-8-4-9-21-36)55-50(57-51)37-22-10-5-11-23-37;1-52(2)42-28-12-14-30-46(42)58(47-31-15-13-29-43(47)52)51-53-44(35-18-6-3-7-19-35)34-45(54-51)40-26-16-24-38(32-40)39-25-17-27-41(33-39)50-56-48(36-20-8-4-9-21-36)55-49(57-50)37-22-10-5-11-23-37/h2*3-38H,1-2H3;1-38H;3-34,48H,1-2H3;2*3-34H,1-2H3.
What are the key properties of 2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine?
2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine has a molecular weight of 4668.75 g/mol, XLogP of 80.71, 47 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-dimethyl-9H-anthracen-9-yl)-4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;10-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-9,9-dimethylacridine;10-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]-9,9-dimethylacridine;4-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]-N,N-diphenylaniline;10-[4-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 157182403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).