1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine

C40H28N4 — CID 58895007

IUPAC1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc4ccccc34)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C40H28N4/c1-4-17-30(18-5-1)43(31-19-6-2-7-20-31)37-27-28-38(40-39(37)41-34-24-12-13-25-35(34)42-40)44(32-21-8-3-9-22-32)36-26-14-16-29-15-10-11-23-33(29)36/h1-28H
InChIKeyKJEHQJPRGYUFRM-UHFFFAOYSA-N
MW564.69 g/mol
LogP10.88
Rot. Bonds6

About 1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine

1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine (PubChem CID 58895007) has the molecular formula C40H28N4 and a molecular weight of 564.69 g/mol. Its IUPAC name is 1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine.

Molecular Properties

Compound Name1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine
PubChem CID58895007
Molecular FormulaC40H28N4
Molecular Weight564.69 g/mol
Exact Mass564.23
IUPAC Name1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc4ccccc34)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C40H28N4/c1-4-17-30(18-5-1)43(31-19-6-2-7-20-31)37-27-28-38(40-39(37)41-34-24-12-13-25-35(34)42-40)44(32-21-8-3-9-22-32)36-26-14-16-29-15-10-11-23-33(29)36/h1-28H
InChIKeyKJEHQJPRGYUFRM-UHFFFAOYSA-N
XLogP10.88
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenylnaphthalen-1-amine
CID 11392281
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012

Frequently Asked Questions

What is the IUPAC name of 1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine?
The IUPAC name of 1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine (CID 58895007) is 1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine.
What is the SMILES notation for 1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine?
The canonical SMILES for 1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine is c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc4ccccc34)c3nc4ccccc4nc23)cc1.
What is the InChIKey of 1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine?
The InChIKey is KJEHQJPRGYUFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4/c1-4-17-30(18-5-1)43(31-19-6-2-7-20-31)37-27-28-38(40-39(37)41-34-24-12-13-25-35(34)42-40)44(32-21-8-3-9-22-32)36-26-14-16-29-15-10-11-23-33(29)36/h1-28H.
What are the key properties of 1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine?
1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine has a molecular weight of 564.69 g/mol, XLogP of 10.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-naphthalen-1-yl-1-N,4-N,4-N-triphenylphenazine-1,4-diamine is sourced from PubChem (CID 58895007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).