N-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine

C38H26N4O4 — CID 173491811

IUPACN-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESN/C(=C\c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)c1ccc2c([N+](=O)[O-])c3ccccc3c([N+](=O)[O-])c2c1
InChIInChI=1S/C38H26N4O4/c39-35(27-19-22-33-34(24-27)38(42(45)46)32-15-7-6-14-31(32)37(33)41(43)44)23-25-17-20-29(21-18-25)40(28-11-2-1-3-12-28)36-16-8-10-26-9-4-5-13-30(26)36/h1-24H,39H2/b35-23-
InChIKeyHLLWCARSRJTGPX-NHYZDEDTSA-N
MW602.65 g/mol
LogP9.89
Rot. Bonds7

About N-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 173491811) has the molecular formula C38H26N4O4 and a molecular weight of 602.65 g/mol. Its IUPAC name is N-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID173491811
Molecular FormulaC38H26N4O4
Molecular Weight602.65 g/mol
Exact Mass602.20
IUPAC NameN-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESN/C(=C\c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)c1ccc2c([N+](=O)[O-])c3ccccc3c([N+](=O)[O-])c2c1
InChIInChI=1S/C38H26N4O4/c39-35(27-19-22-33-34(24-27)38(42(45)46)32-15-7-6-14-31(32)37(33)41(43)44)23-25-17-20-29(21-18-25)40(28-11-2-1-3-12-28)36-16-8-10-26-9-4-5-13-30(26)36/h1-24H,39H2/b35-23-
InChIKeyHLLWCARSRJTGPX-NHYZDEDTSA-N
XLogP9.89
TPSA115.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.65
LogP ≤ 59.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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
N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 176548656
N-[4-[(E)-2-[10-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438529
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
N,N-diphenylnaphthalen-1-amine
CID 11392281
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
4-N-naphthalen-1-yl-4-N-(4-pent-2-en-3-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 123948232
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine
CID 58870889
bis[3,5-bis(N-naphthalen-1-ylanilino)phenyl]methanone
CID 58240005
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 173491811) is N-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine is N/C(=C\c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1)c1ccc2c([N+](=O)[O-])c3ccccc3c([N+](=O)[O-])c2c1.
What is the InChIKey of N-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is HLLWCARSRJTGPX-NHYZDEDTSA-N. The full InChI is InChI=1S/C38H26N4O4/c39-35(27-19-22-33-34(24-27)38(42(45)46)32-15-7-6-14-31(32)37(33)41(43)44)23-25-17-20-29(21-18-25)40(28-11-2-1-3-12-28)36-16-8-10-26-9-4-5-13-30(26)36/h1-24H,39H2/b35-23-.
What are the key properties of N-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 602.65 g/mol, XLogP of 9.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-2-amino-2-(9,10-dinitroanthracen-2-yl)ethenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 173491811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).