naphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium

C44H33N2+ — CID 22269510

IUPACnaphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium
SMILESc1ccc([N+](c2ccccc2)(c2ccc(-c3ccc(Nc4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C44H33N2/c1-3-15-41(16-4-1)46(42-17-5-2-6-18-42,44-30-24-34-12-8-10-14-38(34)32-44)43-28-22-36(23-29-43)35-19-25-39(26-20-35)45-40-27-21-33-11-7-9-13-37(33)31-40/h1-32,45H/q+1
InChIKeyNTUZWOUDOAGARC-UHFFFAOYSA-N
MW589.76 g/mol
LogP12.71
Rot. Bonds7

About naphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium

naphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium (PubChem CID 22269510) has the molecular formula C44H33N2+ and a molecular weight of 589.76 g/mol. Its IUPAC name is naphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium.

Molecular Properties

Compound Namenaphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium
PubChem CID22269510
Molecular FormulaC44H33N2+
Molecular Weight589.76 g/mol
Exact Mass589.26
IUPAC Namenaphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium
SMILESc1ccc([N+](c2ccccc2)(c2ccc(-c3ccc(Nc4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C44H33N2/c1-3-15-41(16-4-1)46(42-17-5-2-6-18-42,44-30-24-34-12-8-10-14-38(34)32-44)43-28-22-36(23-29-43)35-19-25-39(26-20-35)45-40-27-21-33-11-7-9-13-37(33)31-40/h1-32,45H/q+1
InChIKeyNTUZWOUDOAGARC-UHFFFAOYSA-N
XLogP12.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.76
LogP ≤ 512.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium?
The IUPAC name of naphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium (CID 22269510) is naphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium.
What is the SMILES notation for naphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium?
The canonical SMILES for naphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium is c1ccc([N+](c2ccccc2)(c2ccc(-c3ccc(Nc4ccc5ccccc5c4)cc3)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of naphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium?
The InChIKey is NTUZWOUDOAGARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N2/c1-3-15-41(16-4-1)46(42-17-5-2-6-18-42,44-30-24-34-12-8-10-14-38(34)32-44)43-28-22-36(23-29-43)35-19-25-39(26-20-35)45-40-27-21-33-11-7-9-13-37(33)31-40/h1-32,45H/q+1.
What are the key properties of naphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium?
naphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium has a molecular weight of 589.76 g/mol, XLogP of 12.71, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-[4-[4-(naphthalen-2-ylamino)phenyl]phenyl]-diphenylazanium is sourced from PubChem (CID 22269510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).