2-(4-perylen-3-ylphenyl)propan-2-amine

C29H23N — CID 88882788

IUPAC2-(4-perylen-3-ylphenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(-c2ccc3c4cccc5cccc(c6cccc2c63)c54)cc1
InChIInChI=1S/C29H23N/c1-29(2,30)20-14-12-18(13-15-20)21-16-17-26-24-9-4-7-19-6-3-8-23(27(19)24)25-11-5-10-22(21)28(25)26/h3-17H,30H2,1-2H3
InChIKeyVJLPFRGBXWKIJZ-UHFFFAOYSA-N
MW385.51 g/mol
LogP7.60
Rot. Bonds2

About 2-(4-perylen-3-ylphenyl)propan-2-amine

2-(4-perylen-3-ylphenyl)propan-2-amine (PubChem CID 88882788) has the molecular formula C29H23N and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(4-perylen-3-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-perylen-3-ylphenyl)propan-2-amine
PubChem CID88882788
Molecular FormulaC29H23N
Molecular Weight385.51 g/mol
Exact Mass385.18
IUPAC Name2-(4-perylen-3-ylphenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(-c2ccc3c4cccc5cccc(c6cccc2c63)c54)cc1
InChIInChI=1S/C29H23N/c1-29(2,30)20-14-12-18(13-15-20)21-16-17-26-24-9-4-7-19-6-3-8-23(27(19)24)25-11-5-10-22(21)28(25)26/h3-17H,30H2,1-2H3
InChIKeyVJLPFRGBXWKIJZ-UHFFFAOYSA-N
XLogP7.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethane;3-(4-methylphenyl)perylene
CID 91033625
2-(4-methylphenyl)hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 58734352
1,6-bis(4-tert-butylphenyl)-3,8-bis(4-naphthalen-1-ylphenyl)pyrene
CID 59391221
9,24,36-tris(4-methoxyphenyl)tridecacyclo[20.18.2.22,5.16,10.126,30.03,18.04,15.019,41.023,37.025,35.038,42.014,44.034,43]hexatetraconta-1(40),2(46),3(18),4(15),5(45),6,8,10,12,14(44),16,19(41),20,22(42),23,25(35),26,28,30(43),31,33,36,38-tricosaene
CID 147141731
26-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1,3,5,7(17),8,10,12(34),13,15,18,20,22(33),23(28),24,26,29,31-heptadecaene
CID 123372214
3-(2-phenylphenyl)perylene
CID 174610298
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
3-(6-chrysen-3-ylnaphthalen-2-yl)perylene
CID 140818378
1-[3,5-bis(7-tert-butylpyren-1-yl)phenyl]-7-tert-butylpyrene;1-[3,5-di(pyren-1-yl)phenyl]pyrene;1-[4-(4-pyren-1-ylphenyl)phenyl]pyrene;1-(4-pyren-1-ylphenyl)pyrene
CID 160998212
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
19-(4-pyren-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaene
CID 167412019
11-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]nonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8(34),9,11,13,15,18,21,23,25,27,29(33),30-heptadecaene;11-fluoranthen-8-ylnonacyclo[20.10.1.18,12.02,20.05,19.07,17.023,28.029,33.016,34]tetratriaconta-1(32),2(20),3,5,7(17),8(34),9,11,13,15,18,21,23,25,27,29(33),30-heptadecaene
CID 159948884

Frequently Asked Questions

What is the IUPAC name of 2-(4-perylen-3-ylphenyl)propan-2-amine?
The IUPAC name of 2-(4-perylen-3-ylphenyl)propan-2-amine (CID 88882788) is 2-(4-perylen-3-ylphenyl)propan-2-amine.
What is the SMILES notation for 2-(4-perylen-3-ylphenyl)propan-2-amine?
The canonical SMILES for 2-(4-perylen-3-ylphenyl)propan-2-amine is CC(C)(N)c1ccc(-c2ccc3c4cccc5cccc(c6cccc2c63)c54)cc1.
What is the InChIKey of 2-(4-perylen-3-ylphenyl)propan-2-amine?
The InChIKey is VJLPFRGBXWKIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N/c1-29(2,30)20-14-12-18(13-15-20)21-16-17-26-24-9-4-7-19-6-3-8-23(27(19)24)25-11-5-10-22(21)28(25)26/h3-17H,30H2,1-2H3.
What are the key properties of 2-(4-perylen-3-ylphenyl)propan-2-amine?
2-(4-perylen-3-ylphenyl)propan-2-amine has a molecular weight of 385.51 g/mol, XLogP of 7.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-perylen-3-ylphenyl)propan-2-amine is sourced from PubChem (CID 88882788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).