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

C109H105N3 — CID 158034573

IUPAC3-(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
SMILESCC12CCC(C)(C1)c1cc(-c3cc4ccccc4cc3N(c3ccccc3)c3ccccc3)ccc12.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2ccc(-c3cc4ccccc4cc3N(c3ccccc3)c3ccccc3)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-c1cc3ccccc3cc1N(c1ccccc1)c1ccccc1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/2C37H37N.C35H31N/c2*1-35(2)32-22-21-28(24-33(32)36(3,4)37(35,5)6)31-23-26-15-13-14-16-27(26)25-34(31)38(29-17-9-7-10-18-29)30-19-11-8-12-20-30;1-34-19-20-35(2,24-34)32-22-27(17-18-31(32)34)30-21-25-11-9-10-12-26(25)23-33(30)36(28-13-5-3-6-14-28)29-15-7-4-8-16-29/h2*7-25H,1-6H3;3-18,21-23H,19-20,24H2,1-2H3/i1D3,2D3,3D3,4D3,5D3,6D3;21D,22D,24D;
InChIKeyFHOZEFGNVFBOEA-QJYOTKMJSA-N
MW1478.19 g/mol
LogP30.83
Rot. Bonds18

About 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

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 (PubChem CID 158034573) has the molecular formula C109H105N3 and a molecular weight of 1478.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID158034573
Molecular FormulaC109H105N3
Molecular Weight1478.19 g/mol
Exact Mass1476.96
IUPAC Name3-(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
SMILESCC12CCC(C)(C1)c1cc(-c3cc4ccccc4cc3N(c3ccccc3)c3ccccc3)ccc12.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2ccc(-c3cc4ccccc4cc3N(c3ccccc3)c3ccccc3)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-c1cc3ccccc3cc1N(c1ccccc1)c1ccccc1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/2C37H37N.C35H31N/c2*1-35(2)32-22-21-28(24-33(32)36(3,4)37(35,5)6)31-23-26-15-13-14-16-27(26)25-34(31)38(29-17-9-7-10-18-29)30-19-11-8-12-20-30;1-34-19-20-35(2,24-34)32-22-27(17-18-31(32)34)30-21-25-11-9-10-12-26(25)23-33(30)36(28-13-5-3-6-14-28)29-15-7-4-8-16-29/h2*7-25H,1-6H3;3-18,21-23H,19-20,24H2,1-2H3/i1D3,2D3,3D3,4D3,5D3,6D3;21D,22D,24D;
InChIKeyFHOZEFGNVFBOEA-QJYOTKMJSA-N
XLogP30.83
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001478.19
LogP ≤ 530.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline
CID 154592918
2,5-bis(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-N,N-diphenylaniline
CID 142500621
2-[1,1,2,2,3,3-hexakis(trideuteriomethyl)inden-5-yl]-N,N-diphenylaniline
CID 154592827
3-methyl-N,N-diphenyl-4-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline
CID 154592981
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
4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)-3-methyl-N,N-diphenylaniline
CID 154592716
ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline
CID 142500208
4-[3-(N-phenylanilino)naphthalen-2-yl]benzonitrile
CID 155133337
9,9-dimethyl-N,N-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445023
N-[1,1,2,2,3,3-hexamethyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]inden-5-yl]-9,9-dimethyl-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
CID 177269809

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC12CCC(C)(C1)c1cc(-c3cc4ccccc4cc3N(c3ccccc3)c3ccccc3)ccc12.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2ccc(-c3cc4ccccc4cc3N(c3ccccc3)c3ccccc3)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-c1cc3ccccc3cc1N(c1ccccc1)c1ccccc1)C(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of 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?
The InChIKey is FHOZEFGNVFBOEA-QJYOTKMJSA-N. The full InChI is InChI=1S/2C37H37N.C35H31N/c2*1-35(2)32-22-21-28(24-33(32)36(3,4)37(35,5)6)31-23-26-15-13-14-16-27(26)25-34(31)38(29-17-9-7-10-18-29)30-19-11-8-12-20-30;1-34-19-20-35(2,24-34)32-22-27(17-18-31(32)34)30-21-25-11-9-10-12-26(25)23-33(30)36(28-13-5-3-6-14-28)29-15-7-4-8-16-29/h2*7-25H,1-6H3;3-18,21-23H,19-20,24H2,1-2H3/i1D3,2D3,3D3,4D3,5D3,6D3;21D,22D,24D;.
What are the key properties of 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?
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 has a molecular weight of 1478.19 g/mol, XLogP of 30.83, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158034573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).