4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline

C54H36N4O6 — CID 59757686

IUPAC4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline
SMILESO=[N+]([O-])c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccc([N+](=O)[O-])cc6)c5)cc4)c4ccc(-c5cccc(-c6ccc([N+](=O)[O-])cc6)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C54H36N4O6/c59-56(60)52-28-16-40(17-29-52)46-7-1-4-43(34-46)37-10-22-49(23-11-37)55(50-24-12-38(13-25-50)44-5-2-8-47(35-44)41-18-30-53(31-19-41)57(61)62)51-26-14-39(15-27-51)45-6-3-9-48(36-45)42-20-32-54(33-21-42)58(63)64/h1-36H
InChIKeyGJAJHZQSAUDRHX-UHFFFAOYSA-N
MW836.90 g/mol
LogP14.88
Rot. Bonds12

About 4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline

4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline (PubChem CID 59757686) has the molecular formula C54H36N4O6 and a molecular weight of 836.90 g/mol. Its IUPAC name is 4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline
PubChem CID59757686
Molecular FormulaC54H36N4O6
Molecular Weight836.90 g/mol
Exact Mass836.26
IUPAC Name4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline
SMILESO=[N+]([O-])c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccc([N+](=O)[O-])cc6)c5)cc4)c4ccc(-c5cccc(-c6ccc([N+](=O)[O-])cc6)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C54H36N4O6/c59-56(60)52-28-16-40(17-29-52)46-7-1-4-43(34-46)37-10-22-49(23-11-37)55(50-24-12-38(13-25-50)44-5-2-8-47(35-44)41-18-30-53(31-19-41)57(61)62)51-26-14-39(15-27-51)45-6-3-9-48(36-45)42-20-32-54(33-21-42)58(63)64/h1-36H
InChIKeyGJAJHZQSAUDRHX-UHFFFAOYSA-N
XLogP14.88
TPSA132.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.90
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134370557
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 58672379
4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118314823
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
3-(4-nitrophenyl)phenol
CID 15743438
N-[4-[4-(N-methyl-3-nitroanilino)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 59431971
4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline
CID 130251893
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
ethane;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158849032
N-[4-[4-(N-methyl-3-nitroanilino)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-[4-(N-methyl-4-nitroanilino)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;4-[N-methyl-4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]anilino]benzonitrile
CID 159699120
1-tert-butyl-3-(4-nitrophenyl)benzene
CID 165476956
3-(4-nitrophenyl)benzaldehyde
CID 46193459

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline?
The IUPAC name of 4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline (CID 59757686) is 4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline.
What is the SMILES notation for 4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline?
The canonical SMILES for 4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline is O=[N+]([O-])c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccc([N+](=O)[O-])cc6)c5)cc4)c4ccc(-c5cccc(-c6ccc([N+](=O)[O-])cc6)c5)cc4)cc3)c2)cc1.
What is the InChIKey of 4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline?
The InChIKey is GJAJHZQSAUDRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O6/c59-56(60)52-28-16-40(17-29-52)46-7-1-4-43(34-46)37-10-22-49(23-11-37)55(50-24-12-38(13-25-50)44-5-2-8-47(35-44)41-18-30-53(31-19-41)57(61)62)51-26-14-39(15-27-51)45-6-3-9-48(36-45)42-20-32-54(33-21-42)58(63)64/h1-36H.
What are the key properties of 4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline?
4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline has a molecular weight of 836.90 g/mol, XLogP of 14.88, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 59757686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).