2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline

C56H40N2 — CID 18458013

IUPAC2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc5ccccc45)cc3)cc2)c2ccccc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C56H40N2/c1-3-21-45(22-4-1)57(55-31-13-11-27-53(55)51-29-15-19-43-17-7-9-25-49(43)51)47-37-33-41(34-38-47)42-35-39-48(40-36-42)58(46-23-5-2-6-24-46)56-32-14-12-28-54(56)52-30-16-20-44-18-8-10-26-50(44)52/h1-40H
InChIKeyFXQUXQXBHTXUMJ-UHFFFAOYSA-N
MW740.95 g/mol
LogP15.93
Rot. Bonds9

About 2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline

2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 18458013) has the molecular formula C56H40N2 and a molecular weight of 740.95 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
PubChem CID18458013
Molecular FormulaC56H40N2
Molecular Weight740.95 g/mol
Exact Mass740.32
IUPAC Name2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc5ccccc45)cc3)cc2)c2ccccc2-c2cccc3ccccc23)cc1
InChIInChI=1S/C56H40N2/c1-3-21-45(22-4-1)57(55-31-13-11-27-53(55)51-29-15-19-43-17-7-9-25-49(43)51)47-37-33-41(34-38-47)42-35-39-48(40-36-42)58(46-23-5-2-6-24-46)56-32-14-12-28-54(56)52-30-16-20-44-18-8-10-26-50(44)52/h1-40H
InChIKeyFXQUXQXBHTXUMJ-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 2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of 2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline (CID 18458013) is 2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc5ccccc45)cc3)cc2)c2ccccc2-c2cccc3ccccc23)cc1.
What is the InChIKey of 2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
The InChIKey is FXQUXQXBHTXUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2/c1-3-21-45(22-4-1)57(55-31-13-11-27-53(55)51-29-15-19-43-17-7-9-25-49(43)51)47-37-33-41(34-38-47)42-35-39-48(40-36-42)58(46-23-5-2-6-24-46)56-32-14-12-28-54(56)52-30-16-20-44-18-8-10-26-50(44)52/h1-40H.
What are the key properties of 2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline?
2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline 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 2-naphthalen-1-yl-N-[4-[4-(N-(2-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 18458013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).