N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline

C48H55N — CID 154592918

IUPACN,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline
SMILES[2H]c1c([2H])c2c(c([2H])c1-c1ccc(-c3c([2H])c([2H])c4c(c3[2H])C(C)(C)C(C)(C)C4(C)C)c(N(c3ccccc3)c3ccccc3)c1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C48H55N/c1-43(2)38-27-24-32(29-40(38)45(5,6)47(43,9)10)33-23-26-37(34-25-28-39-41(30-34)46(7,8)48(11,12)44(39,3)4)42(31-33)49(35-19-15-13-16-20-35)36-21-17-14-18-22-36/h13-31H,1-12H3/i24D,25D,27D,28D,29D,30D
InChIKeyBIVSCNUHEBGGIM-NSGVEWNBSA-N
MW652.01 g/mol
LogP13.68
Rot. Bonds5

About N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline

N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline (PubChem CID 154592918) has the molecular formula C48H55N and a molecular weight of 652.01 g/mol. Its IUPAC name is N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline
PubChem CID154592918
Molecular FormulaC48H55N
Molecular Weight652.01 g/mol
Exact Mass651.47
IUPAC NameN,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline
SMILES[2H]c1c([2H])c2c(c([2H])c1-c1ccc(-c3c([2H])c([2H])c4c(c3[2H])C(C)(C)C(C)(C)C4(C)C)c(N(c3ccccc3)c3ccccc3)c1)C(C)(C)C(C)(C)C2(C)C
InChIInChI=1S/C48H55N/c1-43(2)38-27-24-32(29-40(38)45(5,6)47(43,9)10)33-23-26-37(34-25-28-39-41(30-34)46(7,8)48(11,12)44(39,3)4)42(31-33)49(35-19-15-13-16-20-35)36-21-17-14-18-22-36/h13-31H,1-12H3/i24D,25D,27D,28D,29D,30D
InChIKeyBIVSCNUHEBGGIM-NSGVEWNBSA-N
XLogP13.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.01
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline with MolForge

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Related Compounds

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-(1,8-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-[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
N-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 170567774
9,9-dimethyl-N-phenyl-N-[4-[4-[2,3,5,6-tetradeuterio-4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]fluoren-2-amine
CID 163994090
2,5-bis(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)-N,N-diphenylaniline
CID 142500621
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
ethane;3-(1,1,2,2,3,3-hexamethylinden-5-yl)-N,N-diphenylaniline
CID 142500208
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-phenyl-5-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 164529236
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-[2-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-N,4-diphenylnaphthalen-1-amine
CID 166987766

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline?
The IUPAC name of N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline (CID 154592918) is N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline.
What is the SMILES notation for N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline?
The canonical SMILES for N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline is [2H]c1c([2H])c2c(c([2H])c1-c1ccc(-c3c([2H])c([2H])c4c(c3[2H])C(C)(C)C(C)(C)C4(C)C)c(N(c3ccccc3)c3ccccc3)c1)C(C)(C)C(C)(C)C2(C)C.
What is the InChIKey of N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline?
The InChIKey is BIVSCNUHEBGGIM-NSGVEWNBSA-N. The full InChI is InChI=1S/C48H55N/c1-43(2)38-27-24-32(29-40(38)45(5,6)47(43,9)10)33-23-26-37(34-25-28-39-41(30-34)46(7,8)48(11,12)44(39,3)4)42(31-33)49(35-19-15-13-16-20-35)36-21-17-14-18-22-36/h13-31H,1-12H3/i24D,25D,27D,28D,29D,30D.
What are the key properties of N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline?
N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline has a molecular weight of 652.01 g/mol, XLogP of 13.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2,5-bis(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)aniline is sourced from PubChem (CID 154592918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).