9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine

C42H36N2O2 — CID 20665522

IUPAC9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
SMILESCOc1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccc(OC)cc3C)c3ccccc23)c(C)c1
InChIInChI=1S/C42H36N2O2/c1-29-27-33(45-3)23-25-39(29)43(31-15-7-5-8-16-31)41-35-19-11-13-21-37(35)42(38-22-14-12-20-36(38)41)44(32-17-9-6-10-18-32)40-26-24-34(46-4)28-30(40)2/h5-28H,1-4H3
InChIKeyDVOZAQMOFYNYBB-UHFFFAOYSA-N
MW600.76 g/mol
LogP11.57
Rot. Bonds8

About 9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine

9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine (PubChem CID 20665522) has the molecular formula C42H36N2O2 and a molecular weight of 600.76 g/mol. Its IUPAC name is 9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
PubChem CID20665522
Molecular FormulaC42H36N2O2
Molecular Weight600.76 g/mol
Exact Mass600.28
IUPAC Name9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
SMILESCOc1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccc(OC)cc3C)c3ccccc23)c(C)c1
InChIInChI=1S/C42H36N2O2/c1-29-27-33(45-3)23-25-39(29)43(31-15-7-5-8-16-31)41-35-19-11-13-21-37(35)42(38-22-14-12-20-36(38)41)44(32-17-9-6-10-18-32)40-26-24-34(46-4)28-30(40)2/h5-28H,1-4H3
InChIKeyDVOZAQMOFYNYBB-UHFFFAOYSA-N
XLogP11.57
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.76
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(N-[4-[4-[4-(N-(4-methoxy-2-methylphenyl)-4-phenylanilino)phenyl]phenyl]phenyl]-4-phenylanilino)-3-methylphenoxy]methanetriamine
CID 70938513
4-(2-ethoxyethoxy)-N-(4-methoxyphenyl)-2-methyl-N-phenylaniline
CID 18996715
9,9-diethyl-N-(4-methoxy-2-methylphenyl)-N-phenylfluoren-2-amine
CID 139815803
N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine
CID 59133381
N-(4-methylnaphthalen-1-yl)-10-[10-(N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-phenylanthracen-9-amine
CID 121444405
5-methoxy-3-N,3-N-bis(2-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 164786812
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
N-(2,4-dimethylphenyl)-2,4-dimethyl-N-phenylaniline
CID 86720787
2,4-dimethoxy-N-methyl-N-phenylaniline
CID 122399149
N-[4-[4-(N-(2,6-diphenylphenyl)anilino)-3-methylphenyl]-2-methylphenyl]-N,2,6-triphenylaniline
CID 121322665
N-[4-[4-[4-(N-(3,5-dimethylphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-3,5-dimethyl-N-(4-methylphenyl)aniline;2-methoxy-N-[4-[4-[4-(4-methoxy-N-(2-methoxy-5-methylphenyl)-2-methylanilino)phenyl]phenyl]phenyl]-N-(4-methoxy-2-methylphenyl)-5-methylaniline;2-methoxy-N-[4-[4-[4-(N-(2-methoxy-5-methylphenyl)-2-methylanilino)phenyl]phenyl]phenyl]-5-methyl-N-(2-methylphenyl)aniline;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 161351986
3,5-dimethoxy-N-(4-methoxyphenyl)-N-phenylaniline
CID 101074592

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine (CID 20665522) is 9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine is COc1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccc(OC)cc3C)c3ccccc23)c(C)c1.
What is the InChIKey of 9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine?
The InChIKey is DVOZAQMOFYNYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2O2/c1-29-27-33(45-3)23-25-39(29)43(31-15-7-5-8-16-31)41-35-19-11-13-21-37(35)42(38-22-14-12-20-36(38)41)44(32-17-9-6-10-18-32)40-26-24-34(46-4)28-30(40)2/h5-28H,1-4H3.
What are the key properties of 9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine?
9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine has a molecular weight of 600.76 g/mol, XLogP of 11.57, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-bis(4-methoxy-2-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine is sourced from PubChem (CID 20665522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).