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

C159H149Br10N5O — CID 162194947

IUPACN,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
SMILESCC1(C)Oc2ccc(-c3ccccc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2C1(C)C.CC12CCC(C)(C1)c1cc(-c3ccccc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc12.CC12CCC(C)(CC1)c1cc(-c3ccccc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc12.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2ccc(-c3ccccc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C1(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]c1c([2H])c2c(c([2H])c1-c1ccccc1N(c1ccc(Br)cc1)c1ccc(Br)cc1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/2C33H33Br2N.C32H29Br2N.C31H27Br2N.C30H27Br2NO/c2*1-31(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;1-31-17-19-32(2,20-18-31)29-21-22(7-16-28(29)31)27-5-3-4-6-30(27)35(25-12-8-23(33)9-13-25)26-14-10-24(34)11-15-26;1-30-17-18-31(2,20-30)28-19-21(7-16-27(28)30)26-5-3-4-6-29(26)34(24-12-8-22(32)9-13-24)25-14-10-23(33)11-15-25;1-29(2)26-19-20(9-18-28(26)34-30(29,3)4)25-7-5-6-8-27(25)33(23-14-10-21(31)11-15-23)24-16-12-22(32)13-17-24/h2*7-21H,1-6H3;3-16,21H,17-20H2,1-2H3;3-16,19H,17-18,20H2,1-2H3;5-19H,1-4H3/i1D3,2D3,3D3,4D3,5D3,6D3;11D,20D,21D;;;
InChIKeyZQUVJEXLYKMHGK-YUAQIHIISA-N
MW2966.14 g/mol
LogP52.20
Rot. Bonds26

About 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

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 (PubChem CID 162194947) has the molecular formula C159H149Br10N5O and a molecular weight of 2966.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID162194947
Molecular FormulaC159H149Br10N5O
Molecular Weight2966.14 g/mol
Exact Mass2954.49
IUPAC NameN,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
SMILESCC1(C)Oc2ccc(-c3ccccc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2C1(C)C.CC12CCC(C)(C1)c1cc(-c3ccccc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc12.CC12CCC(C)(CC1)c1cc(-c3ccccc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc12.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2ccc(-c3ccccc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C1(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]c1c([2H])c2c(c([2H])c1-c1ccccc1N(c1ccc(Br)cc1)c1ccc(Br)cc1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/2C33H33Br2N.C32H29Br2N.C31H27Br2N.C30H27Br2NO/c2*1-31(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;1-31-17-19-32(2,20-18-31)29-21-22(7-16-28(29)31)27-5-3-4-6-30(27)35(25-12-8-23(33)9-13-25)26-14-10-24(34)11-15-26;1-30-17-18-31(2,20-30)28-19-21(7-16-27(28)30)26-5-3-4-6-29(26)34(24-12-8-22(32)9-13-24)25-14-10-23(33)11-15-25;1-29(2)26-19-20(9-18-28(26)34-30(29,3)4)25-7-5-6-8-27(25)33(23-14-10-21(31)11-15-23)24-16-12-22(32)13-17-24/h2*7-21H,1-6H3;3-16,21H,17-20H2,1-2H3;3-16,19H,17-18,20H2,1-2H3;5-19H,1-4H3/i1D3,2D3,3D3,4D3,5D3,6D3;11D,20D,21D;;;
InChIKeyZQUVJEXLYKMHGK-YUAQIHIISA-N
XLogP52.20
TPSA25.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms175
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002966.14
LogP ≤ 552.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

3-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-N,N-diphenylnaphthalen-2-amine;N,N-diphenyl-3-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-2-amine;3-[1,1,2,2,3,3-hexakis(trideuteriomethyl)inden-5-yl]-N,N-diphenylnaphthalen-2-amine
CID 158034573
N,N-bis(4-bromophenyl)-2,5-bis(1,1,2,2,3,3-hexamethylinden-5-yl)aniline;N,N-bis(4-bromophenyl)-2,5-bis(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)aniline;N,N-bis(4-bromophenyl)-2,5-bis(4-tetracyclo[8.3.1.18,12.02,7]pentadeca-2(7),3,5-trienyl)aniline;N,N-bis(4-bromophenyl)-2,5-bis(2,2,3,3-tetramethyl-1-benzofuran-5-yl)aniline;N,N-bis(4-bromophenyl)-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline
CID 158902136
2-[1,1,2,2,3,3-hexakis(trideuteriomethyl)inden-5-yl]-N,N-diphenylaniline
CID 154592827
N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline
CID 154592918
N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine
CID 154592939
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
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
2,5-bis(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-N,N-diphenylaniline
CID 142500621
3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline
CID 154592981
4-bromo-N-(4-bromo-2-methylphenyl)-N-[4-[1,1,2,2,3,3-hexakis(trideuteriomethyl)inden-5-yl]phenyl]-2-methylaniline
CID 154592954
N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 170567774
N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane
CID 158552847

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)Oc2ccc(-c3ccccc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2C1(C)C.CC12CCC(C)(C1)c1cc(-c3ccccc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc12.CC12CCC(C)(CC1)c1cc(-c3ccccc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc12.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2ccc(-c3ccccc3N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C1(C([2H])([2H])[2H])C([2H])([2H])[2H].[2H]c1c([2H])c2c(c([2H])c1-c1ccccc1N(c1ccc(Br)cc1)c1ccc(Br)cc1)C(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of 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?
The InChIKey is ZQUVJEXLYKMHGK-YUAQIHIISA-N. The full InChI is InChI=1S/2C33H33Br2N.C32H29Br2N.C31H27Br2N.C30H27Br2NO/c2*1-31(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;1-31-17-19-32(2,20-18-31)29-21-22(7-16-28(29)31)27-5-3-4-6-30(27)35(25-12-8-23(33)9-13-25)26-14-10-24(34)11-15-26;1-30-17-18-31(2,20-30)28-19-21(7-16-27(28)30)26-5-3-4-6-29(26)34(24-12-8-22(32)9-13-24)25-14-10-23(33)11-15-25;1-29(2)26-19-20(9-18-28(26)34-30(29,3)4)25-7-5-6-8-27(25)33(23-14-10-21(31)11-15-23)24-16-12-22(32)13-17-24/h2*7-21H,1-6H3;3-16,21H,17-20H2,1-2H3;3-16,19H,17-18,20H2,1-2H3;5-19H,1-4H3/i1D3,2D3,3D3,4D3,5D3,6D3;11D,20D,21D;;;.
What are the key properties of 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?
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 has a molecular weight of 2966.14 g/mol, XLogP of 52.20, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162194947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).