N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine

C47H33N — CID 154127820

IUPACN-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine
SMILESc1ccc2c(Nc3ccc(C(c4cccc5ccccc45)(c4cccc5ccccc45)c4cccc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C47H33N/c1-5-21-39-33(13-1)17-9-25-43(39)47(44-26-10-18-34-14-2-6-22-40(34)44,45-27-11-19-35-15-3-7-23-41(35)45)37-29-31-38(32-30-37)48-46-28-12-20-36-16-4-8-24-42(36)46/h1-32,48H
InChIKeyQKBMAPSZDLTMJH-UHFFFAOYSA-N
MW611.79 g/mol
LogP12.43
Rot. Bonds6

About N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine

N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine (PubChem CID 154127820) has the molecular formula C47H33N and a molecular weight of 611.79 g/mol. Its IUPAC name is N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine
PubChem CID154127820
Molecular FormulaC47H33N
Molecular Weight611.79 g/mol
Exact Mass611.26
IUPAC NameN-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine
SMILESc1ccc2c(Nc3ccc(C(c4cccc5ccccc45)(c4cccc5ccccc45)c4cccc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C47H33N/c1-5-21-39-33(13-1)17-9-25-43(39)47(44-26-10-18-34-14-2-6-22-40(34)44,45-27-11-19-35-15-3-7-23-41(35)45)37-29-31-38(32-30-37)48-46-28-12-20-36-16-4-8-24-42(36)46/h1-32,48H
InChIKeyQKBMAPSZDLTMJH-UHFFFAOYSA-N
XLogP12.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 512.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine (CID 154127820) is N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine is c1ccc2c(Nc3ccc(C(c4cccc5ccccc45)(c4cccc5ccccc45)c4cccc5ccccc45)cc3)cccc2c1.
What is the InChIKey of N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine?
The InChIKey is QKBMAPSZDLTMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N/c1-5-21-39-33(13-1)17-9-25-43(39)47(44-26-10-18-34-14-2-6-22-40(34)44,45-27-11-19-35-15-3-7-23-41(35)45)37-29-31-38(32-30-37)48-46-28-12-20-36-16-4-8-24-42(36)46/h1-32,48H.
What are the key properties of N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine?
N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine has a molecular weight of 611.79 g/mol, XLogP of 12.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trinaphthalen-1-ylmethyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 154127820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).