N,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline

C70H71Br3N3O2+ — CID 159155214

IUPACN,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline
SMILESCC1(C)c2ccc(-c3ccccc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2C(C)(C)C1(C)C.O=C1CCC(=O)N1Br.[CH2+]C1(C)C(C)(C)c2ccc(-c3ccccc3N(c3ccccc3)c3ccccc3)cc2C1(C)C
InChIInChI=1S/C33H33Br2N.C33H34N.C4H4BrNO2/c1-31(2)28-20-11-22(21-29(28)32(3,4)33(31,5)6)27-9-7-8-10-30(27)36(25-16-12-23(34)13-17-25)26-18-14-24(35)15-19-26;1-31(2)28-22-21-24(23-29(28)32(3,4)33(31,5)6)27-19-13-14-20-30(27)34(25-15-9-7-10-16-25)26-17-11-8-12-18-26;5-6-3(7)1-2-4(6)8/h7-21H,1-6H3;7-23H,5H2,1-4,6H3;1-2H2/q;+1;
InChIKeyKJUNTNRUBBFDLX-UHFFFAOYSA-N
MW1226.07 g/mol
LogP20.62
Rot. Bonds8

About N,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline

N,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline (PubChem CID 159155214) has the molecular formula C70H71Br3N3O2+ and a molecular weight of 1226.07 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline
PubChem CID159155214
Molecular FormulaC70H71Br3N3O2+
Molecular Weight1226.07 g/mol
Exact Mass1222.31
IUPAC NameN,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline
SMILESCC1(C)c2ccc(-c3ccccc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2C(C)(C)C1(C)C.O=C1CCC(=O)N1Br.[CH2+]C1(C)C(C)(C)c2ccc(-c3ccccc3N(c3ccccc3)c3ccccc3)cc2C1(C)C
InChIInChI=1S/C33H33Br2N.C33H34N.C4H4BrNO2/c1-31(2)28-20-11-22(21-29(28)32(3,4)33(31,5)6)27-9-7-8-10-30(27)36(25-16-12-23(34)13-17-25)26-18-14-24(35)15-19-26;1-31(2)28-22-21-24(23-29(28)32(3,4)33(31,5)6)27-19-13-14-20-30(27)34(25-15-9-7-10-16-25)26-17-11-8-12-18-26;5-6-3(7)1-2-4(6)8/h7-21H,1-6H3;7-23H,5H2,1-4,6H3;1-2H2/q;+1;
InChIKeyKJUNTNRUBBFDLX-UHFFFAOYSA-N
XLogP20.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001226.07
LogP ≤ 520.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(4-bromophenyl)-2-(2,2,3,3,4,5,5,6,6-nonamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)aniline
CID 142500271
2-[1,1,2,2,3,3-hexakis(trideuteriomethyl)inden-5-yl]-N,N-diphenylaniline
CID 154592827
N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 170567774
2,5-bis(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)-N,N-diphenylaniline
CID 142500552
3-(1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N,N-diphenylaniline
CID 142500857
N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline
CID 142746533
N,N-bis(4-bromophenyl)-2-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline;N,N-bis(4-bromophenyl)-2-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)aniline;N,N-bis(4-bromophenyl)-2-[1,1,2,2,3,3-hexakis(trideuteriomethyl)inden-5-yl]aniline;N,N-bis(4-bromophenyl)-2-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)aniline;N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline
CID 162194947
N-[4-[4-(4-bromo-N-(2-phenylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)-2-phenylaniline
CID 155198907
N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline
CID 142500772
ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline
CID 142500208
2-N,7-N-bis[2-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)phenyl]-9,10-dioctyl-2-N,7-N-diphenylphenanthrene-2,7-diamine
CID 154592904
2-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenyldibenzofuran-4-amine
CID 149470846

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline?
The IUPAC name of N,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline (CID 159155214) is N,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline.
What is the SMILES notation for N,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline?
The canonical SMILES for N,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline is CC1(C)c2ccc(-c3ccccc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2C(C)(C)C1(C)C.O=C1CCC(=O)N1Br.[CH2+]C1(C)C(C)(C)c2ccc(-c3ccccc3N(c3ccccc3)c3ccccc3)cc2C1(C)C.
What is the InChIKey of N,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline?
The InChIKey is KJUNTNRUBBFDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33Br2N.C33H34N.C4H4BrNO2/c1-31(2)28-20-11-22(21-29(28)32(3,4)33(31,5)6)27-9-7-8-10-30(27)36(25-16-12-23(34)13-17-25)26-18-14-24(35)15-19-26;1-31(2)28-22-21-24(23-29(28)32(3,4)33(31,5)6)27-19-13-14-20-30(27)34(25-15-9-7-10-16-25)26-17-11-8-12-18-26;5-6-3(7)1-2-4(6)8/h7-21H,1-6H3;7-23H,5H2,1-4,6H3;1-2H2/q;+1;.
What are the key properties of N,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline?
N,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline has a molecular weight of 1226.07 g/mol, XLogP of 20.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromophenyl)-2-(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;1-bromopyrrolidine-2,5-dione;2-(1,1,2,3,3-pentamethyl-2-methylinden-5-yl)-N,N-diphenylaniline is sourced from PubChem (CID 159155214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).