1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine

C57H70N2O — CID 167384249

IUPAC1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine
SMILESCC(C)c1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc(N(c2ccc(C(C)(C)C)cc2-c2ccccc2)c2coc3c2C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C57H70N2O/c1-38(2)40-33-46(58(44-26-21-41(22-27-44)53(3,4)5)45-28-23-42(24-29-45)54(6,7)8)36-47(34-40)59(50-37-60-52-51(50)56(12,13)31-32-57(52,14)15)49-30-25-43(55(9,10)11)35-48(49)39-19-17-16-18-20-39/h16-30,33-38H,31-32H2,1-15H3
InChIKeyVCYMTTXYGSFJAG-UHFFFAOYSA-N
MW799.20 g/mol
LogP17.25
Rot. Bonds8

About 1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine

1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine (PubChem CID 167384249) has the molecular formula C57H70N2O and a molecular weight of 799.20 g/mol. Its IUPAC name is 1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine
PubChem CID167384249
Molecular FormulaC57H70N2O
Molecular Weight799.20 g/mol
Exact Mass798.55
IUPAC Name1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine
SMILESCC(C)c1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc(N(c2ccc(C(C)(C)C)cc2-c2ccccc2)c2coc3c2C(C)(C)CCC3(C)C)c1
InChIInChI=1S/C57H70N2O/c1-38(2)40-33-46(58(44-26-21-41(22-27-44)53(3,4)5)45-28-23-42(24-29-45)54(6,7)8)36-47(34-40)59(50-37-60-52-51(50)56(12,13)31-32-57(52,14)15)49-30-25-43(55(9,10)11)35-48(49)39-19-17-16-18-20-39/h16-30,33-38H,31-32H2,1-15H3
InChIKeyVCYMTTXYGSFJAG-UHFFFAOYSA-N
XLogP17.25
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.20
LogP ≤ 517.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine with MolForge

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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
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
4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288386
2-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-2-chlorophenyl]-6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine
CID 158438160
5-N-[3-[3,5-bis(N-[2-(4-tert-butylphenyl)phenyl]anilino)-N-(2,6-diphenylphenyl)anilino]phenyl]-1-N,3-N-bis[2-(4-tert-butylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 166011294
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N,5-tris(4-phenylphenyl)benzene-1,3-diamine
CID 90097412
4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline
CID 170288774
4-tert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-17,17,20,20-tetramethyl-N,N-diphenyl-22-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9(24),10,12,15(23),16(21)-octaen-11-amine
CID 167384772
N,N-bis(4-tert-butylphenyl)-4-methyl-3-phenylaniline
CID 139326805
7-N-(4-tert-butylphenyl)-17-N-(2-phenylphenyl)-7-N,17-N-bis[2-(4-propan-2-ylphenyl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753370
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 167260671
4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 172537053

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine?
The IUPAC name of 1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine (CID 167384249) is 1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine is CC(C)c1cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc(N(c2ccc(C(C)(C)C)cc2-c2ccccc2)c2coc3c2C(C)(C)CCC3(C)C)c1.
What is the InChIKey of 1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine?
The InChIKey is VCYMTTXYGSFJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H70N2O/c1-38(2)40-33-46(58(44-26-21-41(22-27-44)53(3,4)5)45-28-23-42(24-29-45)54(6,7)8)36-47(34-40)59(50-37-60-52-51(50)56(12,13)31-32-57(52,14)15)49-30-25-43(55(9,10)11)35-48(49)39-19-17-16-18-20-39/h16-30,33-38H,31-32H2,1-15H3.
What are the key properties of 1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine?
1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine has a molecular weight of 799.20 g/mol, XLogP of 17.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-propan-2-yl-3-N-(4,4,7,7-tetramethyl-5,6-dihydro-1-benzofuran-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 167384249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).