N-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine

C33H26N2 — CID 87494720

IUPACN-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine
SMILESC1=C(c2ccccc2)C(CC(=NNc2ccc3ccccc3c2)c2ccccc2)c2ccccc21
InChIInChI=1S/C33H26N2/c1-3-12-25(13-4-1)31-22-28-17-9-10-18-30(28)32(31)23-33(26-14-5-2-6-15-26)35-34-29-20-19-24-11-7-8-16-27(24)21-29/h1-22,32,34H,23H2
InChIKeySZNMKOUNRSNLKN-UHFFFAOYSA-N
MW450.59 g/mol
LogP8.38
Rot. Bonds6

About N-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine

N-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine (PubChem CID 87494720) has the molecular formula C33H26N2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine.

Molecular Properties

Compound NameN-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine
PubChem CID87494720
Molecular FormulaC33H26N2
Molecular Weight450.59 g/mol
Exact Mass450.21
IUPAC NameN-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine
SMILESC1=C(c2ccccc2)C(CC(=NNc2ccc3ccccc3c2)c2ccccc2)c2ccccc21
InChIInChI=1S/C33H26N2/c1-3-12-25(13-4-1)31-22-28-17-9-10-18-30(28)32(31)23-33(26-14-5-2-6-15-26)35-34-29-20-19-24-11-7-8-16-27(24)21-29/h1-22,32,34H,23H2
InChIKeySZNMKOUNRSNLKN-UHFFFAOYSA-N
XLogP8.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine?
The IUPAC name of N-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine (CID 87494720) is N-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine.
What is the SMILES notation for N-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine?
The canonical SMILES for N-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine is C1=C(c2ccccc2)C(CC(=NNc2ccc3ccccc3c2)c2ccccc2)c2ccccc21.
What is the InChIKey of N-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine?
The InChIKey is SZNMKOUNRSNLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2/c1-3-12-25(13-4-1)31-22-28-17-9-10-18-30(28)32(31)23-33(26-14-5-2-6-15-26)35-34-29-20-19-24-11-7-8-16-27(24)21-29/h1-22,32,34H,23H2.
What are the key properties of N-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine?
N-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine has a molecular weight of 450.59 g/mol, XLogP of 8.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-phenyl-2-(2-phenyl-1H-inden-1-yl)ethylidene]amino]naphthalen-2-amine is sourced from PubChem (CID 87494720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).