4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine

C89H67N7 — CID 169021212

IUPAC4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2N(c2cccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c2)c2cc(N(c3ccccc3)c3ccccc3)nc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C89H67N7/c1-12-36-68(37-13-1)85-60-35-61-86(69-38-14-2-15-39-69)89(85)96(84-66-87(94(75-50-26-8-27-51-75)76-52-28-9-29-53-76)90-88(67-84)95(77-54-30-10-31-55-77)78-56-32-11-33-57-78)80-59-34-58-79(62-80)93(74-48-24-7-25-49-74)83-64-81(91(70-40-16-3-17-41-70)71-42-18-4-19-43-71)63-82(65-83)92(72-44-20-5-21-45-72)73-46-22-6-23-47-73/h1-67H
InChIKeyQDCQGTTURXYLFE-UHFFFAOYSA-N
MW1234.56 g/mol
LogP25.23
Rot. Bonds20

About 4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine

4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine (PubChem CID 169021212) has the molecular formula C89H67N7 and a molecular weight of 1234.56 g/mol. Its IUPAC name is 4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine
PubChem CID169021212
Molecular FormulaC89H67N7
Molecular Weight1234.56 g/mol
Exact Mass1233.55
IUPAC Name4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2N(c2cccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c2)c2cc(N(c3ccccc3)c3ccccc3)nc(N(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C89H67N7/c1-12-36-68(37-13-1)85-60-35-61-86(69-38-14-2-15-39-69)89(85)96(84-66-87(94(75-50-26-8-27-51-75)76-52-28-9-29-53-76)90-88(67-84)95(77-54-30-10-31-55-77)78-56-32-11-33-57-78)80-59-34-58-79(62-80)93(74-48-24-7-25-49-74)83-64-81(91(70-40-16-3-17-41-70)71-42-18-4-19-43-71)63-82(65-83)92(72-44-20-5-21-45-72)73-46-22-6-23-47-73/h1-67H
InChIKeyQDCQGTTURXYLFE-UHFFFAOYSA-N
XLogP25.23
TPSA32.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001234.56
LogP ≤ 525.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine with MolForge

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Related Compounds

1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 164813761
3-N-(2,6-diphenylphenyl)-5-fluoro-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 164813849
2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
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,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylphenyl)benzene-1,3,5-triamine
CID 164813791
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
2-[3-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-6-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N-(3-methylphenyl)-N-(4-phenylphenyl)aniline
CID 167255202
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
1-N-methyl-3-N,3-N-diphenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine
CID 58903662

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine?
The IUPAC name of 4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine (CID 169021212) is 4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine.
What is the SMILES notation for 4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine?
The canonical SMILES for 4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine is c1ccc(-c2cccc(-c3ccccc3)c2N(c2cccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c2)c2cc(N(c3ccccc3)c3ccccc3)nc(N(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine?
The InChIKey is QDCQGTTURXYLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H67N7/c1-12-36-68(37-13-1)85-60-35-61-86(69-38-14-2-15-39-69)89(85)96(84-66-87(94(75-50-26-8-27-51-75)76-52-28-9-29-53-76)90-88(67-84)95(77-54-30-10-31-55-77)78-56-32-11-33-57-78)80-59-34-58-79(62-80)93(74-48-24-7-25-49-74)83-64-81(91(70-40-16-3-17-41-70)71-42-18-4-19-43-71)63-82(65-83)92(72-44-20-5-21-45-72)73-46-22-6-23-47-73/h1-67H.
What are the key properties of 4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine?
4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine has a molecular weight of 1234.56 g/mol, XLogP of 25.23, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]-4-N-(2,6-diphenylphenyl)-2-N,2-N,6-N,6-N-tetraphenylpyridine-2,4,6-triamine is sourced from PubChem (CID 169021212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).