4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene

C154H92Cl3F54IN2 — CID 165085998

IUPAC4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccc(-c5c(C(F)(F)F)cc(-c6ccc(C(F)(F)F)cc6C(F)(F)F)cc5C(F)(F)F)cc4)cc3)c(C(F)(F)F)cn2)cc2ccccc12.CC(C)(C)c1cc(-c2cc(Cl)c(C(F)(F)F)cn2)cc2ccccc12.Cc1ccc(-c2ccc(-c3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3C(F)(F)F)cc2)cc1.Cc1ccc(C(F)(F)F)cc1C(F)(F)F.FC(F)(F)c1cc(I)cc(C(F)(F)F)c1-c1ccc(-c2ccc(Cl)cc2)cc1.FC(F)(F)c1ccc(-c2cc(C(F)(F)F)c(-c3ccc(-c4ccc(Cl)cc4)cc3)c(C(F)(F)F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C48H30F15N.C29H16F12.C28H13ClF12.C20H10ClF6I.C20H17ClF3N.C9H6F6/c1-43(2,3)36-21-31(18-29-6-4-5-7-33(29)36)41-23-35(40(24-64-41)48(61,62)63)27-12-8-25(9-13-27)26-10-14-28(15-11-26)42-38(46(55,56)57)19-30(20-39(42)47(58,59)60)34-17-16-32(44(49,50)51)22-37(34)45(52,53)54;1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)25-23(28(36,37)38)12-19(13-24(25)29(39,40)41)21-11-10-20(26(30,31)32)14-22(21)27(33,34)35;29-19-8-5-15(6-9-19)14-1-3-16(4-2-14)24-22(27(36,37)38)11-17(12-23(24)28(39,40)41)20-10-7-18(25(30,31)32)13-21(20)26(33,34)35;21-14-7-5-12(6-8-14)11-1-3-13(4-2-11)18-16(19(22,23)24)9-15(28)10-17(18)20(25,26)27;1-19(2,3)15-9-13(8-12-6-4-5-7-14(12)15)18-10-17(21)16(11-25-18)20(22,23)24;1-5-2-3-6(8(10,11)12)4-7(5)9(13,14)15/h4-24H,1-3H3;2-14H,1H3;1-13H;1-10H;4-11H,1-3H3;2-4H,1H3
InChIKeyVXLFHXQPZIMYFT-UHFFFAOYSA-N
MW3229.60 g/mol
LogP58.67
Rot. Bonds14

About 4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene

4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene (PubChem CID 165085998) has the molecular formula C154H92Cl3F54IN2 and a molecular weight of 3229.60 g/mol. Its IUPAC name is 4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene
PubChem CID165085998
Molecular FormulaC154H92Cl3F54IN2
Molecular Weight3229.60 g/mol
Exact Mass3226.45
IUPAC Name4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene
SMILESCC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccc(-c5c(C(F)(F)F)cc(-c6ccc(C(F)(F)F)cc6C(F)(F)F)cc5C(F)(F)F)cc4)cc3)c(C(F)(F)F)cn2)cc2ccccc12.CC(C)(C)c1cc(-c2cc(Cl)c(C(F)(F)F)cn2)cc2ccccc12.Cc1ccc(-c2ccc(-c3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3C(F)(F)F)cc2)cc1.Cc1ccc(C(F)(F)F)cc1C(F)(F)F.FC(F)(F)c1cc(I)cc(C(F)(F)F)c1-c1ccc(-c2ccc(Cl)cc2)cc1.FC(F)(F)c1ccc(-c2cc(C(F)(F)F)c(-c3ccc(-c4ccc(Cl)cc4)cc3)c(C(F)(F)F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C48H30F15N.C29H16F12.C28H13ClF12.C20H10ClF6I.C20H17ClF3N.C9H6F6/c1-43(2,3)36-21-31(18-29-6-4-5-7-33(29)36)41-23-35(40(24-64-41)48(61,62)63)27-12-8-25(9-13-27)26-10-14-28(15-11-26)42-38(46(55,56)57)19-30(20-39(42)47(58,59)60)34-17-16-32(44(49,50)51)22-37(34)45(52,53)54;1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)25-23(28(36,37)38)12-19(13-24(25)29(39,40)41)21-11-10-20(26(30,31)32)14-22(21)27(33,34)35;29-19-8-5-15(6-9-19)14-1-3-16(4-2-14)24-22(27(36,37)38)11-17(12-23(24)28(39,40)41)20-10-7-18(25(30,31)32)13-21(20)26(33,34)35;21-14-7-5-12(6-8-14)11-1-3-13(4-2-11)18-16(19(22,23)24)9-15(28)10-17(18)20(25,26)27;1-19(2,3)15-9-13(8-12-6-4-5-7-14(12)15)18-10-17(21)16(11-25-18)20(22,23)24;1-5-2-3-6(8(10,11)12)4-7(5)9(13,14)15/h4-24H,1-3H3;2-14H,1H3;1-13H;1-10H;4-11H,1-3H3;2-4H,1H3
InChIKeyVXLFHXQPZIMYFT-UHFFFAOYSA-N
XLogP58.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms214
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003229.60
LogP ≤ 558.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene?
The IUPAC name of 4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene (CID 165085998) is 4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene is CC(C)(C)c1cc(-c2cc(-c3ccc(-c4ccc(-c5c(C(F)(F)F)cc(-c6ccc(C(F)(F)F)cc6C(F)(F)F)cc5C(F)(F)F)cc4)cc3)c(C(F)(F)F)cn2)cc2ccccc12.CC(C)(C)c1cc(-c2cc(Cl)c(C(F)(F)F)cn2)cc2ccccc12.Cc1ccc(-c2ccc(-c3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3C(F)(F)F)cc2)cc1.Cc1ccc(C(F)(F)F)cc1C(F)(F)F.FC(F)(F)c1cc(I)cc(C(F)(F)F)c1-c1ccc(-c2ccc(Cl)cc2)cc1.FC(F)(F)c1ccc(-c2cc(C(F)(F)F)c(-c3ccc(-c4ccc(Cl)cc4)cc3)c(C(F)(F)F)c2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene?
The InChIKey is VXLFHXQPZIMYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30F15N.C29H16F12.C28H13ClF12.C20H10ClF6I.C20H17ClF3N.C9H6F6/c1-43(2,3)36-21-31(18-29-6-4-5-7-33(29)36)41-23-35(40(24-64-41)48(61,62)63)27-12-8-25(9-13-27)26-10-14-28(15-11-26)42-38(46(55,56)57)19-30(20-39(42)47(58,59)60)34-17-16-32(44(49,50)51)22-37(34)45(52,53)54;1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)25-23(28(36,37)38)12-19(13-24(25)29(39,40)41)21-11-10-20(26(30,31)32)14-22(21)27(33,34)35;29-19-8-5-15(6-9-19)14-1-3-16(4-2-14)24-22(27(36,37)38)11-17(12-23(24)28(39,40)41)20-10-7-18(25(30,31)32)13-21(20)26(33,34)35;21-14-7-5-12(6-8-14)11-1-3-13(4-2-11)18-16(19(22,23)24)9-15(28)10-17(18)20(25,26)27;1-19(2,3)15-9-13(8-12-6-4-5-7-14(12)15)18-10-17(21)16(11-25-18)20(22,23)24;1-5-2-3-6(8(10,11)12)4-7(5)9(13,14)15/h4-24H,1-3H3;2-14H,1H3;1-13H;1-10H;4-11H,1-3H3;2-4H,1H3.
What are the key properties of 4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene?
4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene has a molecular weight of 3229.60 g/mol, XLogP of 58.67, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-[2,4-bis(trifluoromethyl)phenyl]-2,6-bis(trifluoromethyl)phenyl]phenyl]phenyl]-2-(4-tert-butylnaphthalen-2-yl)-5-(trifluoromethyl)pyridine;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;5-[2,4-bis(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)phenyl]-1,3-bis(trifluoromethyl)benzene;2-(4-tert-butylnaphthalen-2-yl)-4-chloro-5-(trifluoromethyl)pyridine;2-[4-(4-chlorophenyl)phenyl]-5-iodo-1,3-bis(trifluoromethyl)benzene;1-methyl-2,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 165085998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).