N,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline

C56H40N6 — CID 102114794

IUPACN,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline
SMILESc1cc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccncc6)cc5)c5ccc(-c6ccncc6)cc5)cc4)cc3)cc2)ccn1
InChIInChI=1S/C56H40N6/c1-13-51(61(53-17-5-43(6-18-53)47-25-33-57-34-26-47)54-19-7-44(8-20-54)48-27-35-58-36-28-48)14-2-41(1)42-3-15-52(16-4-42)62(55-21-9-45(10-22-55)49-29-37-59-38-30-49)56-23-11-46(12-24-56)50-31-39-60-40-32-50/h1-40H
InChIKeyDAAJQAOBJZZWLH-UHFFFAOYSA-N
MW796.98 g/mol
LogP14.54
Rot. Bonds11

About N,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline

N,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline (PubChem CID 102114794) has the molecular formula C56H40N6 and a molecular weight of 796.98 g/mol. Its IUPAC name is N,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline.

Molecular Properties

Compound NameN,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline
PubChem CID102114794
Molecular FormulaC56H40N6
Molecular Weight796.98 g/mol
Exact Mass796.33
IUPAC NameN,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline
SMILESc1cc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccncc6)cc5)c5ccc(-c6ccncc6)cc5)cc4)cc3)cc2)ccn1
InChIInChI=1S/C56H40N6/c1-13-51(61(53-17-5-43(6-18-53)47-25-33-57-34-26-47)54-19-7-44(8-20-54)48-27-35-58-36-28-48)14-2-41(1)42-3-15-52(16-4-42)62(55-21-9-45(10-22-55)49-29-37-59-38-30-49)56-23-11-46(12-24-56)50-31-39-60-40-32-50/h1-40H
InChIKeyDAAJQAOBJZZWLH-UHFFFAOYSA-N
XLogP14.54
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.98
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline?
The IUPAC name of N,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline (CID 102114794) is N,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline.
What is the SMILES notation for N,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline?
The canonical SMILES for N,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline is c1cc(-c2ccc(N(c3ccc(-c4ccncc4)cc3)c3ccc(-c4ccc(N(c5ccc(-c6ccncc6)cc5)c5ccc(-c6ccncc6)cc5)cc4)cc3)cc2)ccn1.
What is the InChIKey of N,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline?
The InChIKey is DAAJQAOBJZZWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N6/c1-13-51(61(53-17-5-43(6-18-53)47-25-33-57-34-26-47)54-19-7-44(8-20-54)48-27-35-58-36-28-48)14-2-41(1)42-3-15-52(16-4-42)62(55-21-9-45(10-22-55)49-29-37-59-38-30-49)56-23-11-46(12-24-56)50-31-39-60-40-32-50/h1-40H.
What are the key properties of N,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline?
N,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline has a molecular weight of 796.98 g/mol, XLogP of 14.54, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-pyridin-4-ylphenyl)-4-[4-(4-pyridin-4-yl-N-(4-pyridin-4-ylphenyl)anilino)phenyl]aniline is sourced from PubChem (CID 102114794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).