3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine

C67H72N2 — CID 167394680

IUPAC3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
SMILESCc1cc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2ccc(C(C)(C)c3ccccc3)cc2)cc(N(c2ccc3c(c2)C(C)(C)CCC3(C)C)c2ccc(C(C)(C)C)cc2-c2ccccc2)c1
InChIInChI=1S/C67H72N2/c1-47-42-57(68(54-33-28-51(29-34-54)66(9,10)49-24-18-14-19-25-49)55-35-30-52(31-36-55)67(11,12)50-26-20-15-21-27-50)45-58(43-47)69(56-37-38-60-61(46-56)65(7,8)41-40-64(60,5)6)62-39-32-53(63(2,3)4)44-59(62)48-22-16-13-17-23-48/h13-39,42-46H,40-41H2,1-12H3
InChIKeyUKFKXLWKTBJMKU-UHFFFAOYSA-N
MW905.33 g/mol
LogP18.90
Rot. Bonds11

About 3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine

3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine (PubChem CID 167394680) has the molecular formula C67H72N2 and a molecular weight of 905.33 g/mol. Its IUPAC name is 3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
PubChem CID167394680
Molecular FormulaC67H72N2
Molecular Weight905.33 g/mol
Exact Mass904.57
IUPAC Name3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
SMILESCc1cc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2ccc(C(C)(C)c3ccccc3)cc2)cc(N(c2ccc3c(c2)C(C)(C)CCC3(C)C)c2ccc(C(C)(C)C)cc2-c2ccccc2)c1
InChIInChI=1S/C67H72N2/c1-47-42-57(68(54-33-28-51(29-34-54)66(9,10)49-24-18-14-19-25-49)55-35-30-52(31-36-55)67(11,12)50-26-20-15-21-27-50)45-58(43-47)69(56-37-38-60-61(46-56)65(7,8)41-40-64(60,5)6)62-39-32-53(63(2,3)4)44-59(62)48-22-16-13-17-23-48/h13-39,42-46H,40-41H2,1-12H3
InChIKeyUKFKXLWKTBJMKU-UHFFFAOYSA-N
XLogP18.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.33
LogP ≤ 518.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine 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

1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 166497789
N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine
CID 167391415
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 167260671
N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CID 155119953
5-tert-butyl-1-N-(4-tert-butyl-2-phenylphenyl)-2-methyl-3-N-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]-3-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-1-N-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)benzene-1,3-diamine
CID 166805966
3-N-(3-tert-butylphenyl)-3-N-dibenzofuran-4-yl-5-methyl-1-N,1-N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 167390714
5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170222776
5,5,8,8-tetramethyl-N-(3-methylphenyl)-N-phenyl-6,7-dihydronaphthalen-2-amine
CID 142500873
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 167384376
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170445450
3-N-(5-tert-butyl-1-benzothiophen-3-yl)-1-N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-chloro-1-N-(9,9-dimethylxanthen-3-yl)-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 168806276

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine (CID 167394680) is 3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine is Cc1cc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2ccc(C(C)(C)c3ccccc3)cc2)cc(N(c2ccc3c(c2)C(C)(C)CCC3(C)C)c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.
What is the InChIKey of 3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine?
The InChIKey is UKFKXLWKTBJMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H72N2/c1-47-42-57(68(54-33-28-51(29-34-54)66(9,10)49-24-18-14-19-25-49)55-35-30-52(31-36-55)67(11,12)50-26-20-15-21-27-50)45-58(43-47)69(56-37-38-60-61(46-56)65(7,8)41-40-64(60,5)6)62-39-32-53(63(2,3)4)44-59(62)48-22-16-13-17-23-48/h13-39,42-46H,40-41H2,1-12H3.
What are the key properties of 3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine?
3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine has a molecular weight of 905.33 g/mol, XLogP of 18.90, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 167394680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).