N-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine

C52H32N2O2 — CID 139844336

IUPACN-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccc6cccc7ccc4c5c67)o3)o2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C52H32N2O2/c1-3-13-39(14-4-1)53(43-27-23-37-19-17-33-9-7-11-35-21-25-41(43)51(37)49(33)35)47-31-29-45(55-47)46-30-32-48(56-46)54(40-15-5-2-6-16-40)44-28-24-38-20-18-34-10-8-12-36-22-26-42(44)52(38)50(34)36/h1-32H
InChIKeyKEMUNPZBKNFCOE-UHFFFAOYSA-N
MW716.84 g/mol
LogP15.27
Rot. Bonds7

About N-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine

N-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine (PubChem CID 139844336) has the molecular formula C52H32N2O2 and a molecular weight of 716.84 g/mol. Its IUPAC name is N-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine.

Molecular Properties

Compound NameN-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine
PubChem CID139844336
Molecular FormulaC52H32N2O2
Molecular Weight716.84 g/mol
Exact Mass716.25
IUPAC NameN-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccc6cccc7ccc4c5c67)o3)o2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C52H32N2O2/c1-3-13-39(14-4-1)53(43-27-23-37-19-17-33-9-7-11-35-21-25-41(43)51(37)49(33)35)47-31-29-45(55-47)46-30-32-48(56-46)54(40-15-5-2-6-16-40)44-28-24-38-20-18-34-10-8-12-36-22-26-42(44)52(38)50(34)36/h1-32H
InChIKeyKEMUNPZBKNFCOE-UHFFFAOYSA-N
XLogP15.27
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
CID 59165153
N-(4-nitrophenyl)-N-phenylpyren-1-amine
CID 139261293
2-N,5-N,3,4-tetraphenyl-2-N,5-N-di(pyren-1-yl)thiophene-2,5-diamine
CID 139840479
3,4-dimethyl-2-N,5-N-diphenyl-2-N,5-N-di(pyren-1-yl)thiophene-2,5-diamine
CID 139840466
3-methyl-N-phenyl-N-pyren-1-ylfuran-2-amine
CID 139844415
N,N-bis(4-ethylphenyl)pyren-1-amine
CID 15279343
1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 134169489
N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine
CID 59836976
7-bromo-N-phenyl-N-pyren-1-yldibenzofuran-2-amine
CID 168745462
N-[4-[5-[4-(N-naphthalen-1-ylanilino)phenyl]furan-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 102013805

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine?
The IUPAC name of N-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine (CID 139844336) is N-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine.
What is the SMILES notation for N-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine?
The canonical SMILES for N-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccc6cccc7ccc4c5c67)o3)o2)c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of N-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine?
The InChIKey is KEMUNPZBKNFCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2/c1-3-13-39(14-4-1)53(43-27-23-37-19-17-33-9-7-11-35-21-25-41(43)51(37)49(33)35)47-31-29-45(55-47)46-30-32-48(56-46)54(40-15-5-2-6-16-40)44-28-24-38-20-18-34-10-8-12-36-22-26-42(44)52(38)50(34)36/h1-32H.
What are the key properties of N-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine?
N-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine has a molecular weight of 716.84 g/mol, XLogP of 15.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-pyren-1-yl-5-[5-(N-pyren-1-ylanilino)furan-2-yl]furan-2-amine is sourced from PubChem (CID 139844336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).