N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine

C64H42N2 — CID 58078248

IUPACN,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc5ccc6cc(N(c7ccc8ccccc8c7)c7ccc8ccccc8c7)cc7ccc(c4)c5c67)cc3)c3ccccc23)cc1
InChIInChI=1S/C64H42N2/c1-3-17-54(18-4-1)66(55-19-5-2-6-20-55)62-36-35-59(60-21-11-12-22-61(60)62)46-25-23-45(24-26-46)53-37-49-27-29-51-41-58(42-52-30-28-50(38-53)63(49)64(51)52)65(56-33-31-43-13-7-9-15-47(43)39-56)57-34-32-44-14-8-10-16-48(44)40-57/h1-42H
InChIKeyZLAROCIFHWDBDG-UHFFFAOYSA-N
MW839.05 g/mol
LogP18.32
Rot. Bonds8

About N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine

N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine (PubChem CID 58078248) has the molecular formula C64H42N2 and a molecular weight of 839.05 g/mol. Its IUPAC name is N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine.

Molecular Properties

Compound NameN,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine
PubChem CID58078248
Molecular FormulaC64H42N2
Molecular Weight839.05 g/mol
Exact Mass838.33
IUPAC NameN,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc5ccc6cc(N(c7ccc8ccccc8c7)c7ccc8ccccc8c7)cc7ccc(c4)c5c67)cc3)c3ccccc23)cc1
InChIInChI=1S/C64H42N2/c1-3-17-54(18-4-1)66(55-19-5-2-6-20-55)62-36-35-59(60-21-11-12-22-61(60)62)46-25-23-45(24-26-46)53-37-49-27-29-51-41-58(42-52-30-28-50(38-53)63(49)64(51)52)65(56-33-31-43-13-7-9-15-47(43)39-56)57-34-32-44-14-8-10-16-48(44)40-57/h1-42H
InChIKeyZLAROCIFHWDBDG-UHFFFAOYSA-N
XLogP18.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.05
LogP ≤ 518.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352916
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 153292219
N,N-diphenyl-4-[5-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[5-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 158475864
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
CID 166917627
N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352637
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-4-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589706
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 59861292
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589657
1-N-(4-naphthalen-2-ylphenyl)-4-N-phenanthren-3-yl-1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 166917482
1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
CID 161293442
4-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 170141564
methane;N-[4-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157113671

Frequently Asked Questions

What is the IUPAC name of N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine?
The IUPAC name of N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine (CID 58078248) is N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine.
What is the SMILES notation for N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine?
The canonical SMILES for N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cc5ccc6cc(N(c7ccc8ccccc8c7)c7ccc8ccccc8c7)cc7ccc(c4)c5c67)cc3)c3ccccc23)cc1.
What is the InChIKey of N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine?
The InChIKey is ZLAROCIFHWDBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2/c1-3-17-54(18-4-1)66(55-19-5-2-6-20-55)62-36-35-59(60-21-11-12-22-61(60)62)46-25-23-45(24-26-46)53-37-49-27-29-51-41-58(42-52-30-28-50(38-53)63(49)64(51)52)65(56-33-31-43-13-7-9-15-47(43)39-56)57-34-32-44-14-8-10-16-48(44)40-57/h1-42H.
What are the key properties of N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine?
N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine has a molecular weight of 839.05 g/mol, XLogP of 18.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine is sourced from PubChem (CID 58078248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).