5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine

C81H75N7 — CID 58251513

IUPAC5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)c(-c2ccc(N(c3ccc(-c4cc(C(C)(C)C)ccc4N(c4ccccc4)c4ccccc4)cn3)c3ccc(-c4cc(C(C)(C)C)ccc4N(c4ccccc4)c4ccccc4)cn3)nc2)c1
InChIInChI=1S/C81H75N7/c1-79(2,3)61-43-46-73(85(64-28-16-10-17-29-64)65-30-18-11-19-31-65)70(52-61)58-40-49-76(82-55-58)88(77-50-41-59(56-83-77)71-53-62(80(4,5)6)44-47-74(71)86(66-32-20-12-21-33-66)67-34-22-13-23-35-67)78-51-42-60(57-84-78)72-54-63(81(7,8)9)45-48-75(72)87(68-36-24-14-25-37-68)69-38-26-15-27-39-69/h10-57H,1-9H3
InChIKeyDJBYWRWYHBVWPM-UHFFFAOYSA-N
MW1146.54 g/mol
LogP22.64
Rot. Bonds15

About 5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine

5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine (PubChem CID 58251513) has the molecular formula C81H75N7 and a molecular weight of 1146.54 g/mol. Its IUPAC name is 5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine
PubChem CID58251513
Molecular FormulaC81H75N7
Molecular Weight1146.54 g/mol
Exact Mass1145.61
IUPAC Name5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)c(-c2ccc(N(c3ccc(-c4cc(C(C)(C)C)ccc4N(c4ccccc4)c4ccccc4)cn3)c3ccc(-c4cc(C(C)(C)C)ccc4N(c4ccccc4)c4ccccc4)cn3)nc2)c1
InChIInChI=1S/C81H75N7/c1-79(2,3)61-43-46-73(85(64-28-16-10-17-29-64)65-30-18-11-19-31-65)70(52-61)58-40-49-76(82-55-58)88(77-50-41-59(56-83-77)71-53-62(80(4,5)6)44-47-74(71)86(66-32-20-12-21-33-66)67-34-22-13-23-35-67)78-51-42-60(57-84-78)72-54-63(81(7,8)9)45-48-75(72)87(68-36-24-14-25-37-68)69-38-26-15-27-39-69/h10-57H,1-9H3
InChIKeyDJBYWRWYHBVWPM-UHFFFAOYSA-N
XLogP22.64
TPSA51.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001146.54
LogP ≤ 522.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[6-(3-aminopentan-3-yl)-3-pyridinyl]-4-(2-methylheptan-2-yl)-N,N-diphenylaniline
CID 91277240
6-tert-butyl-1-N,1-N,4-N,4-N-tetrakis(4-phenylphenyl)naphthalene-1,4-diamine
CID 59133377
CID 67466440
CID 67466440
4-(3,6-ditert-butylcarbazol-9-yl)-N,N,2-triphenylaniline
CID 155317932
4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288386
1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-pyridin-3-ylphenyl)-2-chloro-5-methylbenzene-1,3-diamine
CID 162464037
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
3-N-(4-tert-butyl-2-phenylphenyl)-5-chloro-3-N-phenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine
CID 171616967
4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline
CID 170288774
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
N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyridin-2-ylpyridin-2-amine;N,N-bis[2-[4-(N-phenylanilino)phenyl]phenyl]-5-pyrimidin-2-ylpyrimidin-2-amine;N-[2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-tert-butylphenyl)-2,4-bis[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]aniline;2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N-[2-[4-[4-(N-phenylanilino)phenyl]thiophen-3-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 159430472

Frequently Asked Questions

What is the IUPAC name of 5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine (CID 58251513) is 5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine is CC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)c(-c2ccc(N(c3ccc(-c4cc(C(C)(C)C)ccc4N(c4ccccc4)c4ccccc4)cn3)c3ccc(-c4cc(C(C)(C)C)ccc4N(c4ccccc4)c4ccccc4)cn3)nc2)c1.
What is the InChIKey of 5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine?
The InChIKey is DJBYWRWYHBVWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H75N7/c1-79(2,3)61-43-46-73(85(64-28-16-10-17-29-64)65-30-18-11-19-31-65)70(52-61)58-40-49-76(82-55-58)88(77-50-41-59(56-83-77)71-53-62(80(4,5)6)44-47-74(71)86(66-32-20-12-21-33-66)67-34-22-13-23-35-67)78-51-42-60(57-84-78)72-54-63(81(7,8)9)45-48-75(72)87(68-36-24-14-25-37-68)69-38-26-15-27-39-69/h10-57H,1-9H3.
What are the key properties of 5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine?
5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine has a molecular weight of 1146.54 g/mol, XLogP of 22.64, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-N,N-bis[5-[5-tert-butyl-2-(N-phenylanilino)phenyl]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 58251513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).