6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine

C36H22FN — CID 176881362

IUPAC6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine
SMILESFc1ccc2ccc3c(N(c4cccc5ccccc45)c4cccc5ccccc45)ccc4ccc1c2c43
InChIInChI=1S/C36H22FN/c37-31-21-17-25-16-20-30-34(22-18-26-15-19-29(31)35(25)36(26)30)38(32-13-5-9-23-7-1-3-11-27(23)32)33-14-6-10-24-8-2-4-12-28(24)33/h1-22H
InChIKeyGHZUHSHLZQSTRC-UHFFFAOYSA-N
MW487.58 g/mol
LogP10.50
Rot. Bonds3

About 6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine

6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine (PubChem CID 176881362) has the molecular formula C36H22FN and a molecular weight of 487.58 g/mol. Its IUPAC name is 6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine.

Molecular Properties

Compound Name6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine
PubChem CID176881362
Molecular FormulaC36H22FN
Molecular Weight487.58 g/mol
Exact Mass487.17
IUPAC Name6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine
SMILESFc1ccc2ccc3c(N(c4cccc5ccccc45)c4cccc5ccccc45)ccc4ccc1c2c43
InChIInChI=1S/C36H22FN/c37-31-21-17-25-16-20-30-34(22-18-26-15-19-29(31)35(25)36(26)30)38(32-13-5-9-23-7-1-3-11-27(23)32)33-14-6-10-24-8-2-4-12-28(24)33/h1-22H
InChIKeyGHZUHSHLZQSTRC-UHFFFAOYSA-N
XLogP10.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,3-N,3-N,6-N,6-N-hexanaphthalen-1-ylpyrene-1,3,6-triamine
CID 176881422
1,4-difluorobenzo[c]phenanthrene
CID 14938397
N-(6-fluoropyren-1-yl)-N-quinoxalin-5-ylquinoxalin-5-amine
CID 176881180
N-(1-benzothiophen-2-yl)-N-(6-fluoropyren-1-yl)-1-benzothiophen-2-amine
CID 176881547
4-[[6-(4-cyano-N-naphthalen-1-ylanilino)pyren-1-yl]-naphthalen-1-ylamino]benzonitrile
CID 142691769
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472
N-dibenzofuran-2-yl-N-(6-fluoropyren-1-yl)dibenzofuran-2-amine
CID 176881700
1-chloro-4-fluorobenzo[c]phenanthrene
CID 11108760
3-fluoroperylene
CID 10978520
1-N,6-N-bis[2,4-bis(4-tert-butylphenyl)-6-fluorophenyl]-1-N,6-N-dinaphthalen-1-ylpyrene-1,6-diamine
CID 59357909
N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 142730115
2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 159424391

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine?
The IUPAC name of 6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine (CID 176881362) is 6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine.
What is the SMILES notation for 6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine?
The canonical SMILES for 6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine is Fc1ccc2ccc3c(N(c4cccc5ccccc45)c4cccc5ccccc45)ccc4ccc1c2c43.
What is the InChIKey of 6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine?
The InChIKey is GHZUHSHLZQSTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22FN/c37-31-21-17-25-16-20-30-34(22-18-26-15-19-29(31)35(25)36(26)30)38(32-13-5-9-23-7-1-3-11-27(23)32)33-14-6-10-24-8-2-4-12-28(24)33/h1-22H.
What are the key properties of 6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine?
6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine has a molecular weight of 487.58 g/mol, XLogP of 10.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,N-dinaphthalen-1-ylpyren-1-amine is sourced from PubChem (CID 176881362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).