1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine

C66H54N2 — CID 142469435

IUPAC1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
SMILESCC1(C)CC(C)(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C66H54N2/c1-65(2)47-66(3,56-32-42-61(43-33-56)67(57-34-24-52(25-35-57)48-16-8-4-9-17-48)58-36-26-53(27-37-58)49-18-10-5-11-19-49)63-45-44-62(46-64(63)65)68(59-38-28-54(29-39-59)50-20-12-6-13-21-50)60-40-30-55(31-41-60)51-22-14-7-15-23-51/h4-46H,47H2,1-3H3
InChIKeyPHYKWIISALAYKP-UHFFFAOYSA-N
MW875.17 g/mol
LogP18.28
Rot. Bonds11

About 1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine

1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine (PubChem CID 142469435) has the molecular formula C66H54N2 and a molecular weight of 875.17 g/mol. Its IUPAC name is 1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine.

Molecular Properties

Compound Name1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
PubChem CID142469435
Molecular FormulaC66H54N2
Molecular Weight875.17 g/mol
Exact Mass874.43
IUPAC Name1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
SMILESCC1(C)CC(C)(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C66H54N2/c1-65(2)47-66(3,56-32-42-61(43-33-56)67(57-34-24-52(25-35-57)48-16-8-4-9-17-48)58-36-26-53(27-37-58)49-18-10-5-11-19-49)63-45-44-62(46-64(63)65)68(59-38-28-54(29-39-59)50-20-12-6-13-21-50)60-40-30-55(31-41-60)51-22-14-7-15-23-51/h4-46H,47H2,1-3H3
InChIKeyPHYKWIISALAYKP-UHFFFAOYSA-N
XLogP18.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.17
LogP ≤ 518.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-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

4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine
CID 175763314
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
N-[1-[3-[bis(9,9-diphenylfluoren-2-yl)amino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;1,3,3-trimethyl-N-(4-methylphenyl)-1-[3-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N-(4-phenylphenyl)-2H-inden-5-amine
CID 158817105
4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 142469386
5,5,8,8-tetramethyl-N-phenyl-N-[4-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735963
N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 170223052
N-(3,5-diphenylphenyl)-5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735973
N-[4-[6-(N-dibenzofuran-2-yl-2-phenylanilino)-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;1,1,3-trimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
CID 159438248
N-phenyl-N-[4-[4-(N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 170223047
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)aniline
CID 171735961
2-(4-phenylphenyl)-5-[4-[1,3,3-trimethyl-6-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]-2H-inden-1-yl]phenyl]-1,3,4-oxadiazole
CID 58185915

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine?
The IUPAC name of 1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine (CID 142469435) is 1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine.
What is the SMILES notation for 1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine?
The canonical SMILES for 1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine is CC1(C)CC(C)(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine?
The InChIKey is PHYKWIISALAYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54N2/c1-65(2)47-66(3,56-32-42-61(43-33-56)67(57-34-24-52(25-35-57)48-16-8-4-9-17-48)58-36-26-53(27-37-58)49-18-10-5-11-19-49)63-45-44-62(46-64(63)65)68(59-38-28-54(29-39-59)50-20-12-6-13-21-50)60-40-30-55(31-41-60)51-22-14-7-15-23-51/h4-46H,47H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine?
1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine has a molecular weight of 875.17 g/mol, XLogP of 18.28, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine is sourced from PubChem (CID 142469435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).