N-(4-pyren-1-ylphenyl)naphthalen-2-amine

C32H21N — CID 142720547

IUPACN-(4-pyren-1-ylphenyl)naphthalen-2-amine
SMILESc1ccc2cc(Nc3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)ccc2c1
InChIInChI=1S/C32H21N/c1-2-5-26-20-28(17-10-21(26)4-1)33-27-15-11-22(12-16-27)29-18-13-25-9-8-23-6-3-7-24-14-19-30(29)32(25)31(23)24/h1-20,33H
InChIKeyRHMIQTDHYHZEJW-UHFFFAOYSA-N
MW419.53 g/mol
LogP9.15
Rot. Bonds3

About N-(4-pyren-1-ylphenyl)naphthalen-2-amine

N-(4-pyren-1-ylphenyl)naphthalen-2-amine (PubChem CID 142720547) has the molecular formula C32H21N and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(4-pyren-1-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-pyren-1-ylphenyl)naphthalen-2-amine
PubChem CID142720547
Molecular FormulaC32H21N
Molecular Weight419.53 g/mol
Exact Mass419.17
IUPAC NameN-(4-pyren-1-ylphenyl)naphthalen-2-amine
SMILESc1ccc2cc(Nc3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)ccc2c1
InChIInChI=1S/C32H21N/c1-2-5-26-20-28(17-10-21(26)4-1)33-27-15-11-22(12-16-27)29-18-13-25-9-8-23-6-3-7-24-14-19-30(29)32(25)31(23)24/h1-20,33H
InChIKeyRHMIQTDHYHZEJW-UHFFFAOYSA-N
XLogP9.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 59.15
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

N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine
CID 141423625
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
N-phenyl-4-[6-[4-(N-phenylanilino)phenyl]pyren-1-yl]aniline
CID 90215363
1-[2,4,5-tri(pyren-1-yl)phenyl]pyrene;1-[4-[2,4,5-tris(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 162207927
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
6-phenanthren-9-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 169007580
3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166769727
1-(6-pyren-1-ylphenanthren-3-yl)pyrene
CID 142721789
1-(2-phenyl-5-pyren-1-ylphenyl)pyrene
CID 156656853
1-[3-[3-phenyl-5-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[4-[3-phenyl-5-(4-pyren-1-ylphenyl)phenyl]phenyl]pyrene;1-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]pyrene
CID 167610604
N-(4-bromophenyl)-4-(2-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-phenanthren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(4-phenylnaphthalen-1-yl)aniline;N-(4-bromophenyl)-4-(2-pyren-1-ylphenyl)aniline;N-(4-bromophenyl)-4-(3-pyren-1-ylphenyl)aniline
CID 160982054

Frequently Asked Questions

What is the IUPAC name of N-(4-pyren-1-ylphenyl)naphthalen-2-amine?
The IUPAC name of N-(4-pyren-1-ylphenyl)naphthalen-2-amine (CID 142720547) is N-(4-pyren-1-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-(4-pyren-1-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N-(4-pyren-1-ylphenyl)naphthalen-2-amine is c1ccc2cc(Nc3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)ccc2c1.
What is the InChIKey of N-(4-pyren-1-ylphenyl)naphthalen-2-amine?
The InChIKey is RHMIQTDHYHZEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N/c1-2-5-26-20-28(17-10-21(26)4-1)33-27-15-11-22(12-16-27)29-18-13-25-9-8-23-6-3-7-24-14-19-30(29)32(25)31(23)24/h1-20,33H.
What are the key properties of N-(4-pyren-1-ylphenyl)naphthalen-2-amine?
N-(4-pyren-1-ylphenyl)naphthalen-2-amine has a molecular weight of 419.53 g/mol, XLogP of 9.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyren-1-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 142720547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).