1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine

C85H79Cl2N5 — CID 176621233

IUPAC1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine
SMILESCC(C)(C)c1cc(-c2cc(N(c3cccc(Cl)c3)c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)cc(N(c3cccc(Cl)c3)c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C85H79Cl2N5/c1-82(2,3)63-44-61(45-64(48-63)83(4,5)6)62-46-71(91(69-42-28-40-67(86)53-69)77-73(56-30-18-13-19-31-56)49-65(84(7,8)9)50-74(77)57-32-20-14-21-33-57)55-72(47-62)92(70-43-29-41-68(87)54-70)78-75(58-34-22-15-23-35-58)51-66(85(10,11)12)52-76(78)81-89-79(59-36-24-16-25-37-59)88-80(90-81)60-38-26-17-27-39-60/h13-55H,1-12H3
InChIKeyJDXCLCRVPIYHAY-UHFFFAOYSA-N
MW1241.51 g/mol
LogP24.98
Rot. Bonds13

About 1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine

1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine (PubChem CID 176621233) has the molecular formula C85H79Cl2N5 and a molecular weight of 1241.51 g/mol. Its IUPAC name is 1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine
PubChem CID176621233
Molecular FormulaC85H79Cl2N5
Molecular Weight1241.51 g/mol
Exact Mass1239.57
IUPAC Name1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine
SMILESCC(C)(C)c1cc(-c2cc(N(c3cccc(Cl)c3)c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)cc(N(c3cccc(Cl)c3)c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C85H79Cl2N5/c1-82(2,3)63-44-61(45-64(48-63)83(4,5)6)62-46-71(91(69-42-28-40-67(86)53-69)77-73(56-30-18-13-19-31-56)49-65(84(7,8)9)50-74(77)57-32-20-14-21-33-57)55-72(47-62)92(70-43-29-41-68(87)54-70)78-75(58-34-22-15-23-35-58)51-66(85(10,11)12)52-76(78)81-89-79(59-36-24-16-25-37-59)88-80(90-81)60-38-26-17-27-39-60/h13-55H,1-12H3
InChIKeyJDXCLCRVPIYHAY-UHFFFAOYSA-N
XLogP24.98
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001241.51
LogP ≤ 524.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

2-[3-chloro-5-[3-(3,5-ditert-butylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160958371
4-tert-butyl-N-(3-tert-butylphenyl)-N-(3-chlorophenyl)-2-[3-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]phenyl]-6-phenylaniline
CID 177107569
1-N,3-N-bis[2,6-bis(4-tert-butylphenyl)phenyl]-1-N-(4-bromophenyl)-5-tert-butyl-3-N-(3-chlorophenyl)benzene-1,3-diamine
CID 176873695
3-[3-tert-butyl-N-(4-chloro-2,6-diphenylphenyl)-5-(N-(4-chloro-2,6-diphenylphenyl)-3-fluoroanilino)anilino]phenol
CID 176828394
5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N,3-N-bis(3-tert-butyl-4-phenylphenyl)benzene-1,3-diamine
CID 176815118
3-(N-[3-tert-butyl-5-(N-(3-chlorophenyl)anilino)phenyl]anilino)phenol
CID 176828407
3-N-(4-tert-butyl-2,6-diphenylphenyl)-5-chloro-3-N-[3-[3-(N-(3,5-ditert-butylphenyl)anilino)-5-(9,9'-spirobi[fluorene]-1-yl)phenoxy]phenyl]-1-N-(2,6-diphenylphenyl)-1-N-phenylbenzene-1,3-diamine
CID 171745476
1-N-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5-dideuterio-6-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)phenyl]-3-N-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5-dideuterio-6-(2,6-ditert-butyl-3,4,5-trideuteriophenyl)phenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine
CID 172503610
2-(3,5-ditert-butylphenyl)-N-[3-[3-[3-(N-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]anilino)-5-phenylphenyl]sulfanylphenyl]sulfanyl-5-phenylphenyl]-N,6-diphenylaniline
CID 170902222
3-[3-tert-butyl-5-(3-chlorophenoxy)-N-(2,6-diphenylphenyl)anilino]phenol
CID 176828409
2-[4-(3,5-ditert-butylphenyl)phenyl]-4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 159606604
N-[3-chloro-5-(2,8-ditert-butylbenzo[b][1]benzoborol-5-yl)phenyl]-N,2,6-triphenylaniline
CID 168840441

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine?
The IUPAC name of 1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine (CID 176621233) is 1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine?
The canonical SMILES for 1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine is CC(C)(C)c1cc(-c2cc(N(c3cccc(Cl)c3)c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)cc(N(c3cccc(Cl)c3)c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc(C(C)(C)C)c1.
What is the InChIKey of 1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine?
The InChIKey is JDXCLCRVPIYHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H79Cl2N5/c1-82(2,3)63-44-61(45-64(48-63)83(4,5)6)62-46-71(91(69-42-28-40-67(86)53-69)77-73(56-30-18-13-19-31-56)49-65(84(7,8)9)50-74(77)57-32-20-14-21-33-57)55-72(47-62)92(70-43-29-41-68(87)54-70)78-75(58-34-22-15-23-35-58)51-66(85(10,11)12)52-76(78)81-89-79(59-36-24-16-25-37-59)88-80(90-81)60-38-26-17-27-39-60/h13-55H,1-12H3.
What are the key properties of 1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine?
1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine has a molecular weight of 1241.51 g/mol, XLogP of 24.98, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-tert-butyl-2,6-diphenylphenyl)-3-N-[4-tert-butyl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]-1-N,3-N-bis(3-chlorophenyl)-5-(3,5-ditert-butylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 176621233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).