N-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine

C56H40N4 — CID 58511469

IUPACN-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine
SMILESC(=C/c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cccnc4c3)cc2)cc1)\c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cccnc4c3)cc2)cc1
InChIInChI=1S/C56H40N4/c1-3-11-49(12-4-1)59(53-35-29-47-9-7-37-57-55(47)39-53)51-31-25-45(26-32-51)43-21-17-41(18-22-43)15-16-42-19-23-44(24-20-42)46-27-33-52(34-28-46)60(50-13-5-2-6-14-50)54-36-30-48-10-8-38-58-56(48)40-54/h1-40H/b16-15+
InChIKeyPQPUWSHLGUXDPO-FOCLMDBBSA-N
MW768.96 g/mol
LogP15.23
Rot. Bonds10

About N-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine

N-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine (PubChem CID 58511469) has the molecular formula C56H40N4 and a molecular weight of 768.96 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine
PubChem CID58511469
Molecular FormulaC56H40N4
Molecular Weight768.96 g/mol
Exact Mass768.33
IUPAC NameN-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine
SMILESC(=C/c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cccnc4c3)cc2)cc1)\c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cccnc4c3)cc2)cc1
InChIInChI=1S/C56H40N4/c1-3-11-49(12-4-1)59(53-35-29-47-9-7-37-57-55(47)39-53)51-31-25-45(26-32-51)43-21-17-41(18-22-43)15-16-42-19-23-44(24-20-42)46-27-33-52(34-28-46)60(50-13-5-2-6-14-50)54-36-30-48-10-8-38-58-56(48)40-54/h1-40H/b16-15+
InChIKeyPQPUWSHLGUXDPO-FOCLMDBBSA-N
XLogP15.23
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-2-yl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91472292
N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 89067663
N,N-diphenyl-6-[2-[6-[2-(4-phenylphenyl)ethenyl]naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 72565650
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165
N-[4-[5-[4-(4-phenyl-N-quinolin-7-ylanilino)phenyl]thiophen-2-yl]phenyl]quinolin-7-amine
CID 122660803
N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91011081
4-[N-naphthalen-2-yl-4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]anilino]benzonitrile
CID 90837425
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine?
The IUPAC name of N-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine (CID 58511469) is N-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine.
What is the SMILES notation for N-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine?
The canonical SMILES for N-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine is C(=C/c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cccnc4c3)cc2)cc1)\c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cccnc4c3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine?
The InChIKey is PQPUWSHLGUXDPO-FOCLMDBBSA-N. The full InChI is InChI=1S/C56H40N4/c1-3-11-49(12-4-1)59(53-35-29-47-9-7-37-57-55(47)39-53)51-31-25-45(26-32-51)43-21-17-41(18-22-43)15-16-42-19-23-44(24-20-42)46-27-33-52(34-28-46)60(50-13-5-2-6-14-50)54-36-30-48-10-8-38-58-56(48)40-54/h1-40H/b16-15+.
What are the key properties of N-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine?
N-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine has a molecular weight of 768.96 g/mol, XLogP of 15.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[4-[(E)-2-[4-[4-(N-quinolin-7-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]quinolin-7-amine is sourced from PubChem (CID 58511469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).