N,N-bis(4-ethylphenyl)pyren-1-amine

C32H27N — CID 15279343

IUPACN,N-bis(4-ethylphenyl)pyren-1-amine
SMILESCCc1ccc(N(c2ccc(CC)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C32H27N/c1-3-22-8-16-27(17-9-22)33(28-18-10-23(4-2)11-19-28)30-21-15-26-13-12-24-6-5-7-25-14-20-29(30)32(26)31(24)25/h5-21H,3-4H2,1-2H3
InChIKeyAMFGZGYIKHWLQW-UHFFFAOYSA-N
MW425.58 g/mol
LogP9.18
Rot. Bonds5

About N,N-bis(4-ethylphenyl)pyren-1-amine

N,N-bis(4-ethylphenyl)pyren-1-amine (PubChem CID 15279343) has the molecular formula C32H27N and a molecular weight of 425.58 g/mol. Its IUPAC name is N,N-bis(4-ethylphenyl)pyren-1-amine.

Molecular Properties

Compound NameN,N-bis(4-ethylphenyl)pyren-1-amine
PubChem CID15279343
Molecular FormulaC32H27N
Molecular Weight425.58 g/mol
Exact Mass425.21
IUPAC NameN,N-bis(4-ethylphenyl)pyren-1-amine
SMILESCCc1ccc(N(c2ccc(CC)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C32H27N/c1-3-22-8-16-27(17-9-22)33(28-18-10-23(4-2)11-19-28)30-21-15-26-13-12-24-6-5-7-25-14-20-29(30)32(26)31(24)25/h5-21H,3-4H2,1-2H3
InChIKeyAMFGZGYIKHWLQW-UHFFFAOYSA-N
XLogP9.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 59.18
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

N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine
CID 59836976
1-N,6-N-bis[3,5-bis(3-methylphenyl)phenyl]-1-N,6-N-bis(4-ethylphenyl)pyrene-1,6-diamine
CID 58322228
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
CID 59165153
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
1-N,1-N,3-N,3-N-tetrakis(4-tert-butylphenyl)pyrene-1,3-diamine
CID 146497193
[4-[4-(prop-2-enoyloxymethyl)-N-pyren-1-ylanilino]phenyl]methyl prop-2-enoate
CID 59832766
1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 134169489
1-N,1-N,3-N,3-N,6-N,6-N-hexanaphthalen-1-ylpyrene-1,3,6-triamine
CID 176881422
N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine
CID 54213443
N-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine
CID 139844336
1-N,1-N,6-N,6-N-tetranaphthalen-2-ylpyrene-1,6-diamine
CID 59027571

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-ethylphenyl)pyren-1-amine?
The IUPAC name of N,N-bis(4-ethylphenyl)pyren-1-amine (CID 15279343) is N,N-bis(4-ethylphenyl)pyren-1-amine.
What is the SMILES notation for N,N-bis(4-ethylphenyl)pyren-1-amine?
The canonical SMILES for N,N-bis(4-ethylphenyl)pyren-1-amine is CCc1ccc(N(c2ccc(CC)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of N,N-bis(4-ethylphenyl)pyren-1-amine?
The InChIKey is AMFGZGYIKHWLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N/c1-3-22-8-16-27(17-9-22)33(28-18-10-23(4-2)11-19-28)30-21-15-26-13-12-24-6-5-7-25-14-20-29(30)32(26)31(24)25/h5-21H,3-4H2,1-2H3.
What are the key properties of N,N-bis(4-ethylphenyl)pyren-1-amine?
N,N-bis(4-ethylphenyl)pyren-1-amine has a molecular weight of 425.58 g/mol, XLogP of 9.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-ethylphenyl)pyren-1-amine is sourced from PubChem (CID 15279343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).