N-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene

C156H154F3N5O2 — CID 159209397

IUPACN-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESC.CC.CC.CC.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc2c3c4c(ccc13)C=CCC4=CC2.Cc1ccc(Nc2ccc(C(C)(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1.Cc1ccc(Nc2ccc(C3(C)c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(Nc2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C35H29N.C27H23N.C19H18.3C16H13N.C10H11F3.C10H12O2.3C2H6.CH4/c1-25-17-21-29(22-18-25)36-30-23-19-28(20-24-30)35(2,33-15-7-11-26-9-3-5-13-31(26)33)34-16-8-12-27-10-4-6-14-32(27)34;1-19-11-15-21(16-12-19)28-22-17-13-20(14-18-22)27(2)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-12(2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14;3*1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11)12;3*1-2;/h3-24,36H,1-2H3;3-18,28H,1-2H3;3,5-6,8-12H,4,7H2,1-2H3;3*1-12,17H;3-7H,1-2H3;3-7H,1-2H3,(H,11,12);3*1-2H3;1H4
InChIKeyKQHKFVKQDHSSGS-UHFFFAOYSA-N
MW2187.97 g/mol
LogP45.59
Rot. Bonds18

About N-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene

N-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 159209397) has the molecular formula C156H154F3N5O2 and a molecular weight of 2187.97 g/mol. Its IUPAC name is N-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound NameN-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID159209397
Molecular FormulaC156H154F3N5O2
Molecular Weight2187.97 g/mol
Exact Mass2186.21
IUPAC NameN-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESC.CC.CC.CC.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc2c3c4c(ccc13)C=CCC4=CC2.Cc1ccc(Nc2ccc(C(C)(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1.Cc1ccc(Nc2ccc(C3(C)c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(Nc2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1
InChIInChI=1S/C35H29N.C27H23N.C19H18.3C16H13N.C10H11F3.C10H12O2.3C2H6.CH4/c1-25-17-21-29(22-18-25)36-30-23-19-28(20-24-30)35(2,33-15-7-11-26-9-3-5-13-31(26)33)34-16-8-12-27-10-4-6-14-32(27)34;1-19-11-15-21(16-12-19)28-22-17-13-20(14-18-22)27(2)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-12(2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14;3*1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11)12;3*1-2;/h3-24,36H,1-2H3;3-18,28H,1-2H3;3,5-6,8-12H,4,7H2,1-2H3;3*1-12,17H;3-7H,1-2H3;3-7H,1-2H3,(H,11,12);3*1-2H3;1H4
InChIKeyKQHKFVKQDHSSGS-UHFFFAOYSA-N
XLogP45.59
TPSA97.45 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002187.97
LogP ≤ 545.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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Related Compounds

4-(1-anthracen-9-ylethyl)-N-(4-methylphenyl)naphthalen-1-amine;ethane;N-(4-methylphenyl)-4-(1-pyren-1-ylethyl)naphthalen-1-amine;1-methyl-4-propan-2-ylbenzene;tetrakis(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;bis(1-propan-2-ylpyrene)
CID 160594080
[4-[bis[4-[4-[[1-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]amino]benzoyl]oxyphenyl]-(4-propan-2-ylphenyl)methyl]phenyl] 4-[[1-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]amino]benzoate
CID 139978789
4-[2-[4-[2-[3-(1,1-dinaphthalen-1-ylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[3-(1,1-diphenylethyl)-4-hydroxyphenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-(9-methylfluoren-9-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;4-[2-[4-[2-[4-hydroxy-3-[1-(4-phenylphenyl)ethyl]phenyl]propan-2-yl]phenyl]propan-2-yl]-2-methylphenol;molecular fluorine;hydrofluoride
CID 160552408
N-[4-(2-phenylpropan-2-yl)phenyl]naphthalen-1-amine
CID 18331969
6-[2-[3-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[3-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;6-[4-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-1,9-dihydropyrene;1-[2-[2-[7-(4,6-dihydropyren-1-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]pyrene
CID 161480275
1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol
CID 169108594
4-[1-[[1-methyl-3-[4-(trifluoromethyl)anilino]indole-2-carbonyl]amino]ethyl]benzoic acid
CID 175353078
2-(4,6-dihydropyren-1-yl)-8-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 59758533
N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine
CID 154127820
N-[4-[2-[4-[4-[2-[4-[N-(4,6-dihydropyren-1-yl)-4-methylanilino]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)pyren-1-amine
CID 89375249
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
8-propan-2-yl-1,9-dihydropyrene
CID 140739340

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of N-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 159209397) is N-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for N-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for N-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene is C.CC.CC.CC.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc2c3c4c(ccc13)C=CCC4=CC2.Cc1ccc(Nc2ccc(C(C)(c3cccc4ccccc34)c3cccc4ccccc34)cc2)cc1.Cc1ccc(Nc2ccc(C3(C)c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(Nc2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.c1ccc(Nc2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is KQHKFVKQDHSSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N.C27H23N.C19H18.3C16H13N.C10H11F3.C10H12O2.3C2H6.CH4/c1-25-17-21-29(22-18-25)36-30-23-19-28(20-24-30)35(2,33-15-7-11-26-9-3-5-13-31(26)33)34-16-8-12-27-10-4-6-14-32(27)34;1-19-11-15-21(16-12-19)28-22-17-13-20(14-18-22)27(2)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-12(2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14;3*1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11)12;3*1-2;/h3-24,36H,1-2H3;3-18,28H,1-2H3;3,5-6,8-12H,4,7H2,1-2H3;3*1-12,17H;3-7H,1-2H3;3-7H,1-2H3,(H,11,12);3*1-2H3;1H4.
What are the key properties of N-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene?
N-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 2187.97 g/mol, XLogP of 45.59, 18 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dinaphthalen-1-ylethyl)phenyl]-4-methylaniline;ethane;methane;4-methyl-N-[4-(9-methylfluoren-9-yl)phenyl]aniline;tris(N-phenylnaphthalen-1-amine);4-propan-2-ylbenzoic acid;6-propan-2-yl-1,9-dihydropyrene;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 159209397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).