N-(1H-phenalen-1-yl)-1H-phenalen-1-amine

C26H19N — CID 23024201

IUPACN-(1H-phenalen-1-yl)-1H-phenalen-1-amine
SMILESC1=CC(NC2C=Cc3cccc4cccc2c34)c2cccc3cccc1c23
InChIInChI=1S/C26H19N/c1-5-17-9-3-11-21-23(15-13-19(7-1)25(17)21)27-24-16-14-20-8-2-6-18-10-4-12-22(24)26(18)20/h1-16,23-24,27H
InChIKeyOWMKBINTVPKKBO-UHFFFAOYSA-N
MW345.45 g/mol
LogP6.42
Rot. Bonds2

About N-(1H-phenalen-1-yl)-1H-phenalen-1-amine

N-(1H-phenalen-1-yl)-1H-phenalen-1-amine (PubChem CID 23024201) has the molecular formula C26H19N and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(1H-phenalen-1-yl)-1H-phenalen-1-amine.

Molecular Properties

Compound NameN-(1H-phenalen-1-yl)-1H-phenalen-1-amine
PubChem CID23024201
Molecular FormulaC26H19N
Molecular Weight345.45 g/mol
Exact Mass345.15
IUPAC NameN-(1H-phenalen-1-yl)-1H-phenalen-1-amine
SMILESC1=CC(NC2C=Cc3cccc4cccc2c34)c2cccc3cccc1c23
InChIInChI=1S/C26H19N/c1-5-17-9-3-11-21-23(15-13-19(7-1)25(17)21)27-24-16-14-20-8-2-6-18-10-4-12-22(24)26(18)20/h1-16,23-24,27H
InChIKeyOWMKBINTVPKKBO-UHFFFAOYSA-N
XLogP6.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-1H-phenalene
CID 118456888
CID 174146075
CID 174146075
N-fluoro-9-methyl-1H-phenalen-1-amine
CID 153367407
CID 175041145
CID 175041145
cyclohexa-2,5-diene-1,4-dione;1H-phenalen-1-ol
CID 175310515
6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylic acid
CID 70000365
2-(1H-phenalen-1-yl)propanedial
CID 174396888
3,3-bis(1H-phenalen-1-yl)oxathiirane
CID 174584708
1-(2-phenylpropyl)-1H-phenalene
CID 175272524
methyl 6-hydroxy-7-(1H-phenalen-1-ylcarbamoyl)naphthalene-2-carboxylate
CID 70001257
1-(1-phenylethenyl)-1H-phenalene
CID 174392625
3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide
CID 155317049

Frequently Asked Questions

What is the IUPAC name of N-(1H-phenalen-1-yl)-1H-phenalen-1-amine?
The IUPAC name of N-(1H-phenalen-1-yl)-1H-phenalen-1-amine (CID 23024201) is N-(1H-phenalen-1-yl)-1H-phenalen-1-amine.
What is the SMILES notation for N-(1H-phenalen-1-yl)-1H-phenalen-1-amine?
The canonical SMILES for N-(1H-phenalen-1-yl)-1H-phenalen-1-amine is C1=CC(NC2C=Cc3cccc4cccc2c34)c2cccc3cccc1c23.
What is the InChIKey of N-(1H-phenalen-1-yl)-1H-phenalen-1-amine?
The InChIKey is OWMKBINTVPKKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N/c1-5-17-9-3-11-21-23(15-13-19(7-1)25(17)21)27-24-16-14-20-8-2-6-18-10-4-12-22(24)26(18)20/h1-16,23-24,27H.
What are the key properties of N-(1H-phenalen-1-yl)-1H-phenalen-1-amine?
N-(1H-phenalen-1-yl)-1H-phenalen-1-amine has a molecular weight of 345.45 g/mol, XLogP of 6.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-phenalen-1-yl)-1H-phenalen-1-amine is sourced from PubChem (CID 23024201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).