N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline

C51H36N2 — CID 171403443

IUPACN-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline
SMILESC(=N\c1ccccc1Nc1ccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)cc1)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C51H36N2/c1-4-14-37(15-5-1)38-26-24-36(25-27-38)35-52-48-22-12-13-23-49(48)53-43-31-28-39(29-32-43)42-30-33-46-47(34-42)51(41-18-8-3-9-19-41)45-21-11-10-20-44(45)50(46)40-16-6-2-7-17-40/h1-35,53H/b52-35-
InChIKeyPUJHQILHXQCFRR-FNKBIHDKSA-N
MW676.86 g/mol
LogP14.16
Rot. Bonds8

About N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline

N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline (PubChem CID 171403443) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline
PubChem CID171403443
Molecular FormulaC51H36N2
Molecular Weight676.86 g/mol
Exact Mass676.29
IUPAC NameN-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline
SMILESC(=N\c1ccccc1Nc1ccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)cc1)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C51H36N2/c1-4-14-37(15-5-1)38-26-24-36(25-27-38)35-52-48-22-12-13-23-49(48)53-43-31-28-39(29-32-43)42-30-33-46-47(34-42)51(41-18-8-3-9-19-41)45-21-11-10-20-44(45)50(46)40-16-6-2-7-17-40/h1-35,53H/b52-35-
InChIKeyPUJHQILHXQCFRR-FNKBIHDKSA-N
XLogP14.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 514.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzene-1,2-diamine
CID 134171896
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535154
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]triphenylene;2-[4-(9,10-diphenylanthracen-2-yl)naphthalen-1-yl]triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene;bis(2-(9,10-diphenylanthracen-2-yl)triphenylene)
CID 158141670
N-(4-anthracen-9-ylphenyl)-4-phenylaniline
CID 134240819

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline?
The IUPAC name of N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline (CID 171403443) is N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline.
What is the SMILES notation for N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline?
The canonical SMILES for N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline is C(=N\c1ccccc1Nc1ccc(-c2ccc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3c2)cc1)\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline?
The InChIKey is PUJHQILHXQCFRR-FNKBIHDKSA-N. The full InChI is InChI=1S/C51H36N2/c1-4-14-37(15-5-1)38-26-24-36(25-27-38)35-52-48-22-12-13-23-49(48)53-43-31-28-39(29-32-43)42-30-33-46-47(34-42)51(41-18-8-3-9-19-41)45-21-11-10-20-44(45)50(46)40-16-6-2-7-17-40/h1-35,53H/b52-35-.
What are the key properties of N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline?
N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline has a molecular weight of 676.86 g/mol, XLogP of 14.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-[(4-phenylphenyl)methylideneamino]aniline is sourced from PubChem (CID 171403443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).