9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine

C42H36N2O4 — CID 20665545

IUPAC9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2c3ccccc3c(N(c3ccc(OC)cc3)c3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C42H36N2O4/c1-45-33-21-13-29(14-22-33)43(30-15-23-34(46-2)24-16-30)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(31-17-25-35(47-3)26-18-31)32-19-27-36(48-4)28-20-32/h5-28H,1-4H3
InChIKeyRBKYPMZXWQOGGR-UHFFFAOYSA-N
MW632.76 g/mol
LogP10.97
Rot. Bonds10

About 9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine

9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine (PubChem CID 20665545) has the molecular formula C42H36N2O4 and a molecular weight of 632.76 g/mol. Its IUPAC name is 9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine
PubChem CID20665545
Molecular FormulaC42H36N2O4
Molecular Weight632.76 g/mol
Exact Mass632.27
IUPAC Name9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2c3ccccc3c(N(c3ccc(OC)cc3)c3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C42H36N2O4/c1-45-33-21-13-29(14-22-33)43(30-15-23-34(46-2)24-16-30)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(31-17-25-35(47-3)26-18-31)32-19-27-36(48-4)28-20-32/h5-28H,1-4H3
InChIKeyRBKYPMZXWQOGGR-UHFFFAOYSA-N
XLogP10.97
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.76
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine 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

n-(4-Methoxyphenyl)naphthalen-1-amine
CID 237065
4-N-(4-methoxyphenyl)-1-N,1-N,4-N-trimethylnaphthalene-1,4-diamine
CID 44580869
N-(4-methoxyphenyl)-N-methyl-4-nitronaphthalen-1-amine
CID 44580871
(1,1'-Biphenyl)-4,4'-diamine, N4,N4,N4',N4'-tetrakis(4-methoxyphenyl)-
CID 23069933
4-N-(4-methoxyphenyl)-4-N-methylnaphthalene-1,4-diamine
CID 44580890
(2R,3S)-4-benzyl-1-(4-methoxyphenyl)-3-methyl-2-[(4-phenylphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine
CID 53383662
(2R,3S)-4-benzyl-2-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine
CID 53383665
N,N'-Bis(2-methyl-4-methoxyphenyl)-N,N'-diphenylbenzidine
CID 23517938
N-(anthracen-9-ylmethyl)-4-[4-(anthracen-9-ylmethylamino)phenoxy]aniline
CID 76328882
4-[(E)-2-[10-[(E)-2-[4-[6-[6-[4-[(E)-2-[10-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenoxy]hexyldiselanyl]hexoxy]phenyl]ethenyl]anthracen-9-yl]ethenyl]-N,N-dimethylaniline
CID 171356106
N,N-bis(4-methoxyphenyl)-4-(2,4,6-tritert-butylphenyl)phosphanylidenephosphanyl-3,5-bis(2,4,6-trimethylphenyl)aniline
CID 15441201
7-[3-(4-methoxyphenyl)propyl]-N,N-dimethylnaphthalen-1-amine
CID 166439129

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine?
The IUPAC name of 9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine (CID 20665545) is 9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine.
What is the SMILES notation for 9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine?
The canonical SMILES for 9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine is COc1ccc(N(c2ccc(OC)cc2)c2c3ccccc3c(N(c3ccc(OC)cc3)c3ccc(OC)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine?
The InChIKey is RBKYPMZXWQOGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2O4/c1-45-33-21-13-29(14-22-33)43(30-15-23-34(46-2)24-16-30)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(31-17-25-35(47-3)26-18-31)32-19-27-36(48-4)28-20-32/h5-28H,1-4H3.
What are the key properties of 9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine?
9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine has a molecular weight of 632.76 g/mol, XLogP of 10.97, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N,10-N,10-N-tetrakis(4-methoxyphenyl)anthracene-9,10-diamine is sourced from PubChem (CID 20665545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).