3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine

C112H113Cl3N6O2 — CID 159395197

IUPAC3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine
SMILESCC(C)(C)c1cc(Cl)c(Cl)c(N(c2ccccc2)c2ccc3cocc3c2)c1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(N(c3ccccc3)c3cc(C(C)(C)C)cc(N(c4ccccc4)c4ccc5cocc5c4)c3Cl)c2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C56H56ClN3O.C32H36N2.C24H21Cl2NO/c1-54(2,3)41-24-29-46(30-25-41)58(47-31-26-42(27-32-47)55(4,5)6)48-21-16-22-49(36-48)59(44-17-12-10-13-18-44)51-34-43(56(7,8)9)35-52(53(51)57)60(45-19-14-11-15-20-45)50-28-23-39-37-61-38-40(39)33-50;1-31(2,3)24-15-19-28(20-16-24)34(29-21-17-25(18-22-29)32(4,5)6)30-14-10-13-27(23-30)33-26-11-8-7-9-12-26;1-24(2,3)18-12-21(25)23(26)22(13-18)27(19-7-5-4-6-8-19)20-10-9-16-14-28-15-17(16)11-20/h10-38H,1-9H3;7-23,33H,1-6H3;4-15H,1-3H3
InChIKeyLMPTWBPGLAXRAU-UHFFFAOYSA-N
MW1681.53 g/mol
LogP35.39
Rot. Bonds17

About 3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine

3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine (PubChem CID 159395197) has the molecular formula C112H113Cl3N6O2 and a molecular weight of 1681.53 g/mol. Its IUPAC name is 3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine.

Molecular Properties

Compound Name3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine
PubChem CID159395197
Molecular FormulaC112H113Cl3N6O2
Molecular Weight1681.53 g/mol
Exact Mass1678.80
IUPAC Name3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine
SMILESCC(C)(C)c1cc(Cl)c(Cl)c(N(c2ccccc2)c2ccc3cocc3c2)c1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(N(c3ccccc3)c3cc(C(C)(C)C)cc(N(c4ccccc4)c4ccc5cocc5c4)c3Cl)c2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(Nc3ccccc3)c2)cc1
InChIInChI=1S/C56H56ClN3O.C32H36N2.C24H21Cl2NO/c1-54(2,3)41-24-29-46(30-25-41)58(47-31-26-42(27-32-47)55(4,5)6)48-21-16-22-49(36-48)59(44-17-12-10-13-18-44)51-34-43(56(7,8)9)35-52(53(51)57)60(45-19-14-11-15-20-45)50-28-23-39-37-61-38-40(39)33-50;1-31(2,3)24-15-19-28(20-16-24)34(29-21-17-25(18-22-29)32(4,5)6)30-14-10-13-27(23-30)33-26-11-8-7-9-12-26;1-24(2,3)18-12-21(25)23(26)22(13-18)27(19-7-5-4-6-8-19)20-10-9-16-14-28-15-17(16)11-20/h10-38H,1-9H3;7-23,33H,1-6H3;4-15H,1-3H3
InChIKeyLMPTWBPGLAXRAU-UHFFFAOYSA-N
XLogP35.39
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001681.53
LogP ≤ 535.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine with MolForge

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Related Compounds

3-N-(4-tert-butylphenyl)-3-N-(2,3-dichloro-5-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 169041454
2-bromo-5-tert-butyl-3-N,3-N-bis(4-tert-butylphenyl)-1-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 167515729
3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(2,5-diphenylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(2,5-diphenylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine
CID 158239553
1-N,3-N-bis(4-tert-butylphenyl)-2-chloro-1-N,3-N-bis(4-methylphenyl)-5-N,5-N-diphenylbenzene-1,3,5-triamine
CID 167072947
N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine
CID 158438158
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
2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline
CID 163574767
23-N-(2-tert-butylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155644783
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N-bis(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-2-chloro-5-N,5-N-diphenylbenzene-1,3,5-triamine
CID 162494576
1-N-(4-tert-butylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 166584273
3-N-[5-tert-butyl-2-chloro-3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]-1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176813561
N-[4-(4-anilinophenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 22389712

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine?
The IUPAC name of 3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine (CID 159395197) is 3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine.
What is the SMILES notation for 3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine?
The canonical SMILES for 3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine is CC(C)(C)c1cc(Cl)c(Cl)c(N(c2ccccc2)c2ccc3cocc3c2)c1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(N(c3ccccc3)c3cc(C(C)(C)C)cc(N(c4ccccc4)c4ccc5cocc5c4)c3Cl)c2)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(Nc3ccccc3)c2)cc1.
What is the InChIKey of 3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine?
The InChIKey is LMPTWBPGLAXRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H56ClN3O.C32H36N2.C24H21Cl2NO/c1-54(2,3)41-24-29-46(30-25-41)58(47-31-26-42(27-32-47)55(4,5)6)48-21-16-22-49(36-48)59(44-17-12-10-13-18-44)51-34-43(56(7,8)9)35-52(53(51)57)60(45-19-14-11-15-20-45)50-28-23-39-37-61-38-40(39)33-50;1-31(2,3)24-15-19-28(20-16-24)34(29-21-17-25(18-22-29)32(4,5)6)30-14-10-13-27(23-30)33-26-11-8-7-9-12-26;1-24(2,3)18-12-21(25)23(26)22(13-18)27(19-7-5-4-6-8-19)20-10-9-16-14-28-15-17(16)11-20/h10-38H,1-9H3;7-23,33H,1-6H3;4-15H,1-3H3.
What are the key properties of 3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine?
3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine has a molecular weight of 1681.53 g/mol, XLogP of 35.39, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine is sourced from PubChem (CID 159395197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).