N-phenyl-9,10-dihydropyren-1-amine

C22H17N — CID 163541259

IUPACN-phenyl-9,10-dihydropyren-1-amine
SMILESc1ccc(Nc2ccc3ccc4cccc5c4c3c2CC5)cc1
InChIInChI=1S/C22H17N/c1-2-7-18(8-3-1)23-20-14-12-17-10-9-15-5-4-6-16-11-13-19(20)22(17)21(15)16/h1-10,12,14,23H,11,13H2
InChIKeyFBGPSCJCCFXEQR-UHFFFAOYSA-N
MW295.39 g/mol
LogP5.84
Rot. Bonds2

About N-phenyl-9,10-dihydropyren-1-amine

N-phenyl-9,10-dihydropyren-1-amine (PubChem CID 163541259) has the molecular formula C22H17N and a molecular weight of 295.39 g/mol. Its IUPAC name is N-phenyl-9,10-dihydropyren-1-amine.

Molecular Properties

Compound NameN-phenyl-9,10-dihydropyren-1-amine
PubChem CID163541259
Molecular FormulaC22H17N
Molecular Weight295.39 g/mol
Exact Mass295.14
IUPAC NameN-phenyl-9,10-dihydropyren-1-amine
SMILESc1ccc(Nc2ccc3ccc4cccc5c4c3c2CC5)cc1
InChIInChI=1S/C22H17N/c1-2-7-18(8-3-1)23-20-14-12-17-10-9-15-5-4-6-16-11-13-19(20)22(17)21(15)16/h1-10,12,14,23H,11,13H2
InChIKeyFBGPSCJCCFXEQR-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.39
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170779967
N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide
CID 5070082
N-phenyl-N-(2-phenylphenyl)-1,2-dihydroacenaphthylen-3-amine
CID 22630556
1,2-dihydroacenaphthylene;perylene
CID 157201241
1,2-dihydroacenaphthylene;dioxotitanium
CID 175288385
N-phenyl-8-(4-phenylphenyl)naphthalen-1-amine
CID 156570942
1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089
1,2-dihydroacenaphthylene-3-sulfonyl chloride
CID 121008066
1,2-dihydroacenaphthylene;9H-fluorene;propane
CID 158482516

Frequently Asked Questions

What is the IUPAC name of N-phenyl-9,10-dihydropyren-1-amine?
The IUPAC name of N-phenyl-9,10-dihydropyren-1-amine (CID 163541259) is N-phenyl-9,10-dihydropyren-1-amine.
What is the SMILES notation for N-phenyl-9,10-dihydropyren-1-amine?
The canonical SMILES for N-phenyl-9,10-dihydropyren-1-amine is c1ccc(Nc2ccc3ccc4cccc5c4c3c2CC5)cc1.
What is the InChIKey of N-phenyl-9,10-dihydropyren-1-amine?
The InChIKey is FBGPSCJCCFXEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N/c1-2-7-18(8-3-1)23-20-14-12-17-10-9-15-5-4-6-16-11-13-19(20)22(17)21(15)16/h1-10,12,14,23H,11,13H2.
What are the key properties of N-phenyl-9,10-dihydropyren-1-amine?
N-phenyl-9,10-dihydropyren-1-amine has a molecular weight of 295.39 g/mol, XLogP of 5.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9,10-dihydropyren-1-amine is sourced from PubChem (CID 163541259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).