2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine

C241H268N8 — CID 157070571

IUPAC2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(C(C)(C)C)c3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(C(C)(C)C)c3)ncn2)c1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2ccnc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(C(C)(C)C)c3)n2)c1.CC(C)(C)c1cc(-c2ccc(-c3cc(-c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)nc(-c4cccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)n3)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C72H64N2.C65H68N2.2C52H68N2/c1-69(2,3)56-38-51(47-29-31-60-58-25-17-19-27-62(58)71(7,8)64(60)42-47)34-53(40-56)49-33-50(37-55(36-49)68-73-66(45-21-13-11-14-22-45)44-67(74-68)46-23-15-12-16-24-46)54-35-52(39-57(41-54)70(4,5)6)48-30-32-61-59-26-18-20-28-63(59)72(9,10)65(61)43-48;1-61(2,3)50-33-48(34-51(38-50)62(4,5)6)41-22-26-43(27-23-41)58-40-59(44-28-24-42(25-29-44)49-35-52(63(7,8)9)39-53(36-49)64(10,11)12)67-60(66-58)47-19-17-18-45(32-47)46-30-31-55-54-20-15-16-21-56(54)65(13,14)57(55)37-46;1-47(2,3)39-21-33(35-23-41(49(7,8)9)29-42(24-35)50(10,11)12)19-37(27-39)45-31-46(54-32-53-45)38-20-34(22-40(28-38)48(4,5)6)36-25-43(51(13,14)15)30-44(26-36)52(16,17)18;1-47(2,3)39-23-33(35-25-41(49(7,8)9)31-42(26-35)50(10,11)12)21-37(29-39)45-19-20-53-46(54-45)38-22-34(24-40(30-38)48(4,5)6)36-27-43(51(13,14)15)32-44(28-36)52(16,17)18/h11-44H,1-10H3;15-40H,1-14H3;2*19-32H,1-18H3
InChIKeyACJNTMQTCWYWQB-UHFFFAOYSA-N
MW3276.85 g/mol
LogP67.19
Rot. Bonds21

About 2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine

2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine (PubChem CID 157070571) has the molecular formula C241H268N8 and a molecular weight of 3276.85 g/mol. Its IUPAC name is 2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine
PubChem CID157070571
Molecular FormulaC241H268N8
Molecular Weight3276.85 g/mol
Exact Mass3274.12
IUPAC Name2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine
SMILESCC(C)(C)c1cc(-c2cc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(C(C)(C)C)c3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(C(C)(C)C)c3)ncn2)c1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2ccnc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(C(C)(C)C)c3)n2)c1.CC(C)(C)c1cc(-c2ccc(-c3cc(-c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)nc(-c4cccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)n3)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C72H64N2.C65H68N2.2C52H68N2/c1-69(2,3)56-38-51(47-29-31-60-58-25-17-19-27-62(58)71(7,8)64(60)42-47)34-53(40-56)49-33-50(37-55(36-49)68-73-66(45-21-13-11-14-22-45)44-67(74-68)46-23-15-12-16-24-46)54-35-52(39-57(41-54)70(4,5)6)48-30-32-61-59-26-18-20-28-63(59)72(9,10)65(61)43-48;1-61(2,3)50-33-48(34-51(38-50)62(4,5)6)41-22-26-43(27-23-41)58-40-59(44-28-24-42(25-29-44)49-35-52(63(7,8)9)39-53(36-49)64(10,11)12)67-60(66-58)47-19-17-18-45(32-47)46-30-31-55-54-20-15-16-21-56(54)65(13,14)57(55)37-46;1-47(2,3)39-21-33(35-23-41(49(7,8)9)29-42(24-35)50(10,11)12)19-37(27-39)45-31-46(54-32-53-45)38-20-34(22-40(28-38)48(4,5)6)36-25-43(51(13,14)15)30-44(26-36)52(16,17)18;1-47(2,3)39-23-33(35-25-41(49(7,8)9)31-42(26-35)50(10,11)12)21-37(29-39)45-19-20-53-46(54-45)38-22-34(24-40(30-38)48(4,5)6)36-27-43(51(13,14)15)32-44(28-36)52(16,17)18/h11-44H,1-10H3;15-40H,1-14H3;2*19-32H,1-18H3
InChIKeyACJNTMQTCWYWQB-UHFFFAOYSA-N
XLogP67.19
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms249
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003276.85
LogP ≤ 567.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine with MolForge

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Related Compounds

2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 169294673
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine;2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 162132330
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyridine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyridine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 158944197
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
4-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 167344610
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 167344491
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 126609528
4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
CID 172774010
2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 167344461
2-(9,9-dimethylfluoren-2-yl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 118245460
2-[2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 168836979

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine?
The IUPAC name of 2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine (CID 157070571) is 2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine?
The canonical SMILES for 2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine is CC(C)(C)c1cc(-c2cc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc(C(C)(C)C)c3)cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)c1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(C(C)(C)C)c3)ncn2)c1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2ccnc(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(C(C)(C)C)c3)n2)c1.CC(C)(C)c1cc(-c2ccc(-c3cc(-c4ccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc4)nc(-c4cccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)n3)cc2)cc(C(C)(C)C)c1.
What is the InChIKey of 2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine?
The InChIKey is ACJNTMQTCWYWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H64N2.C65H68N2.2C52H68N2/c1-69(2,3)56-38-51(47-29-31-60-58-25-17-19-27-62(58)71(7,8)64(60)42-47)34-53(40-56)49-33-50(37-55(36-49)68-73-66(45-21-13-11-14-22-45)44-67(74-68)46-23-15-12-16-24-46)54-35-52(39-57(41-54)70(4,5)6)48-30-32-61-59-26-18-20-28-63(59)72(9,10)65(61)43-48;1-61(2,3)50-33-48(34-51(38-50)62(4,5)6)41-22-26-43(27-23-41)58-40-59(44-28-24-42(25-29-44)49-35-52(63(7,8)9)39-53(36-49)64(10,11)12)67-60(66-58)47-19-17-18-45(32-47)46-30-31-55-54-20-15-16-21-56(54)65(13,14)57(55)37-46;1-47(2,3)39-21-33(35-23-41(49(7,8)9)29-42(24-35)50(10,11)12)19-37(27-39)45-31-46(54-32-53-45)38-20-34(22-40(28-38)48(4,5)6)36-25-43(51(13,14)15)30-44(26-36)52(16,17)18;1-47(2,3)39-23-33(35-25-41(49(7,8)9)31-42(26-35)50(10,11)12)21-37(29-39)45-19-20-53-46(54-45)38-22-34(24-40(30-38)48(4,5)6)36-27-43(51(13,14)15)32-44(28-36)52(16,17)18/h11-44H,1-10H3;15-40H,1-14H3;2*19-32H,1-18H3.
What are the key properties of 2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine?
2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine has a molecular weight of 3276.85 g/mol, XLogP of 67.19, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;4,6-bis[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]pyrimidine;2-[3,5-bis[3-tert-butyl-5-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4,6-bis[4-(3,5-ditert-butylphenyl)phenyl]-2-[3-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidine is sourced from PubChem (CID 157070571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).