(2-pyren-4-ylphenyl)methanamine

C23H17N — CID 150408947

IUPAC(2-pyren-4-ylphenyl)methanamine
SMILESNCc1ccccc1-c1cc2cccc3ccc4cccc1c4c32
InChIInChI=1S/C23H17N/c24-14-18-5-1-2-9-19(18)21-13-17-8-3-6-15-11-12-16-7-4-10-20(21)23(16)22(15)17/h1-13H,14,24H2
InChIKeyHFJKJJDQKVCVJI-UHFFFAOYSA-N
MW307.40 g/mol
LogP5.71
Rot. Bonds2

About (2-pyren-4-ylphenyl)methanamine

(2-pyren-4-ylphenyl)methanamine (PubChem CID 150408947) has the molecular formula C23H17N and a molecular weight of 307.40 g/mol. Its IUPAC name is (2-pyren-4-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-pyren-4-ylphenyl)methanamine
PubChem CID150408947
Molecular FormulaC23H17N
Molecular Weight307.40 g/mol
Exact Mass307.14
IUPAC Name(2-pyren-4-ylphenyl)methanamine
SMILESNCc1ccccc1-c1cc2cccc3ccc4cccc1c4c32
InChIInChI=1S/C23H17N/c24-14-18-5-1-2-9-19(18)21-13-17-8-3-6-15-11-12-16-7-4-10-20(21)23(16)22(15)17/h1-13H,14,24H2
InChIKeyHFJKJJDQKVCVJI-UHFFFAOYSA-N
XLogP5.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.40
LogP ≤ 55.71
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

1-pyren-4-ylpyrene
CID 71343129
4-(10-naphthalen-1-ylanthracen-9-yl)pyrene
CID 123502506
7,12-di(pyren-4-yl)benzo[k]fluoranthene
CID 123852618
1,5-di(phenanthren-9-yl)pyrene
CID 155759767
4-[3-[3,5-di(pyren-4-yl)phenyl]-5-pyren-4-ylphenyl]pyrene
CID 140757115
bis(pyren-1-ylmethanamine);dihydrochloride
CID 159102456
6-naphthalen-1-ylbenzo[c]phenanthrene
CID 123608674
9-(2-chlorophenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177100175
3,10,17,20-tetra(pyren-4-yl)heptacyclo[13.9.2.02,11.04,9.012,25.016,21.022,26]hexacosa-1(25),2,4,6,8,10,12,14,16,18,20,22(26),23-tridecaene
CID 140722753
4-[10-(2-phenylphenyl)anthracen-9-yl]pyrene
CID 140784013
4-(12-cyclohexa-1,3-dien-1-ylbenzo[10]annulen-5-yl)pyrene
CID 123727351
4-(7-pyren-4-ylnaphthalen-2-yl)pyrene
CID 59805090

Frequently Asked Questions

What is the IUPAC name of (2-pyren-4-ylphenyl)methanamine?
The IUPAC name of (2-pyren-4-ylphenyl)methanamine (CID 150408947) is (2-pyren-4-ylphenyl)methanamine.
What is the SMILES notation for (2-pyren-4-ylphenyl)methanamine?
The canonical SMILES for (2-pyren-4-ylphenyl)methanamine is NCc1ccccc1-c1cc2cccc3ccc4cccc1c4c32.
What is the InChIKey of (2-pyren-4-ylphenyl)methanamine?
The InChIKey is HFJKJJDQKVCVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N/c24-14-18-5-1-2-9-19(18)21-13-17-8-3-6-15-11-12-16-7-4-10-20(21)23(16)22(15)17/h1-13H,14,24H2.
What are the key properties of (2-pyren-4-ylphenyl)methanamine?
(2-pyren-4-ylphenyl)methanamine has a molecular weight of 307.40 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyren-4-ylphenyl)methanamine is sourced from PubChem (CID 150408947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).