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N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine

C56H40N2 — CID 166917627

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C56H40N2/c1-4-14-41(15-5-1)43-24-31-51(32-25-43)57(49-19-6-2-7-20-49)52-35-29-45(30-36-52)56-40-48(38-47-18-12-13-23-55(47)56)44-26-33-53(34-27-44)58(50-21-8-3-9-22-50)54-37-28-42-16-10-11-17-46(42)39-54/h1-40H
InChIKeyFAISOXZBWLOYPI-UHFFFAOYSA-N
MW740.95 g/mol
LogP15.93
Rot. Bonds9

About N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine

N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine (PubChem CID 166917627) has the molecular formula C56H40N2 and a molecular weight of 740.95 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
PubChem CID166917627
Molecular FormulaC56H40N2
Molecular Weight740.95 g/mol
Exact Mass740.32
IUPAC NameN-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C56H40N2/c1-4-14-41(15-5-1)43-24-31-51(32-25-43)57(49-19-6-2-7-20-49)52-35-29-45(30-36-52)56-40-48(38-47-18-12-13-23-55(47)56)44-26-33-53(34-27-44)58(50-21-8-3-9-22-50)54-37-28-42-16-10-11-17-46(42)39-54/h1-40H
InChIKeyFAISOXZBWLOYPI-UHFFFAOYSA-N
XLogP15.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.95
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine?
The IUPAC name of N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine (CID 166917627) is N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccc(N(c6ccccc6)c6ccc7ccccc7c6)cc5)cc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine?
The InChIKey is FAISOXZBWLOYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2/c1-4-14-41(15-5-1)43-24-31-51(32-25-43)57(49-19-6-2-7-20-49)52-35-29-45(30-36-52)56-40-48(38-47-18-12-13-23-55(47)56)44-26-33-53(34-27-44)58(50-21-8-3-9-22-50)54-37-28-42-16-10-11-17-46(42)39-54/h1-40H.
What are the key properties of N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine?
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine has a molecular weight of 740.95 g/mol, XLogP of 15.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 166917627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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