1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine

C61H61ClN2O2 — CID 171604771

IUPAC1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine
SMILESCc1cc(N(c2cccc(-c3cc4ccccc4o3)c2)c2ccc(C(C)(C)C)cc2-c2ccccc2)c(Cl)c(N(c2cc3cc(C(C)(C)C)ccc3o2)c2c(C)cc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C61H61ClN2O2/c1-38-29-51(57(62)52(30-38)64(58-39(2)31-47(32-40(58)3)61(10,11)12)56-36-44-33-45(59(4,5)6)26-28-54(44)66-56)63(48-23-18-22-42(34-48)55-35-43-21-16-17-24-53(43)65-55)50-27-25-46(60(7,8)9)37-49(50)41-19-14-13-15-20-41/h13-37H,1-12H3
InChIKeyBDLKOHHSQCRJEW-UHFFFAOYSA-N
MW889.62 g/mol
LogP18.92
Rot. Bonds8

About 1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine

1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine (PubChem CID 171604771) has the molecular formula C61H61ClN2O2 and a molecular weight of 889.62 g/mol. Its IUPAC name is 1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine
PubChem CID171604771
Molecular FormulaC61H61ClN2O2
Molecular Weight889.62 g/mol
Exact Mass888.44
IUPAC Name1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine
SMILESCc1cc(N(c2cccc(-c3cc4ccccc4o3)c2)c2ccc(C(C)(C)C)cc2-c2ccccc2)c(Cl)c(N(c2cc3cc(C(C)(C)C)ccc3o2)c2c(C)cc(C(C)(C)C)cc2C)c1
InChIInChI=1S/C61H61ClN2O2/c1-38-29-51(57(62)52(30-38)64(58-39(2)31-47(32-40(58)3)61(10,11)12)56-36-44-33-45(59(4,5)6)26-28-54(44)66-56)63(48-23-18-22-42(34-48)55-35-43-21-16-17-24-53(43)65-55)50-27-25-46(60(7,8)9)37-49(50)41-19-14-13-15-20-41/h13-37H,1-12H3
InChIKeyBDLKOHHSQCRJEW-UHFFFAOYSA-N
XLogP18.92
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.62
LogP ≤ 518.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine with MolForge

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Related Compounds

3-N-[3-(1-benzofuran-2-yl)phenyl]-1-N,1-N-bis(4-tert-butylphenyl)-2-chloro-5-methyl-3-N-(7-phenyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diamine
CID 171422667
3-N,3-N-bis[3-(1-benzofuran-2-yl)phenyl]-5-tert-butyl-1-N,1-N-bis(4-tert-butylphenyl)-2-chlorobenzene-1,3-diamine
CID 171429946
3-N-[2-(1-benzofuran-2-yl)-4-tert-butylphenyl]-1-N,1-N,3-N-tris(4-tert-butylphenyl)-2-chloro-5-methylbenzene-1,3-diamine
CID 171429935
3-N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-3-N-(3-tert-butylphenyl)-1-N,1-N-bis(4-tert-butylphenyl)-2-chloro-5-methylbenzene-1,3-diamine
CID 162423473
N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CID 155119953
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 170398533
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
6-(1-benzofuran-2-yl)-N-(4-tert-butylphenyl)-N-(4-methylphenyl)naphthalen-2-amine
CID 171422549
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
4-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-(3-phenylphenyl)naphthalen-1-amine
CID 170400798
1-N,3-N-bis(3-tert-butylphenyl)-2-chloro-1-N,3-N-bis(3,5-ditert-butylphenyl)-5-methylbenzene-1,3-diamine
CID 162423416

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine?
The IUPAC name of 1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine (CID 171604771) is 1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine?
The canonical SMILES for 1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine is Cc1cc(N(c2cccc(-c3cc4ccccc4o3)c2)c2ccc(C(C)(C)C)cc2-c2ccccc2)c(Cl)c(N(c2cc3cc(C(C)(C)C)ccc3o2)c2c(C)cc(C(C)(C)C)cc2C)c1.
What is the InChIKey of 1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine?
The InChIKey is BDLKOHHSQCRJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H61ClN2O2/c1-38-29-51(57(62)52(30-38)64(58-39(2)31-47(32-40(58)3)61(10,11)12)56-36-44-33-45(59(4,5)6)26-28-54(44)66-56)63(48-23-18-22-42(34-48)55-35-43-21-16-17-24-53(43)65-55)50-27-25-46(60(7,8)9)37-49(50)41-19-14-13-15-20-41/h13-37H,1-12H3.
What are the key properties of 1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine?
1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine has a molecular weight of 889.62 g/mol, XLogP of 18.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(1-benzofuran-2-yl)phenyl]-3-N-(5-tert-butyl-1-benzofuran-2-yl)-3-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 171604771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).