10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine

C35H27NO2 — CID 154593004

IUPAC10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine
SMILESCC1(C)Oc2ccc(-c3c4ccccc4c(N(c4ccccc4)c4ccccc4)c4ccccc34)cc2O1
InChIInChI=1S/C35H27NO2/c1-35(2)37-31-22-21-24(23-32(31)38-35)33-27-17-9-11-19-29(27)34(30-20-12-10-18-28(30)33)36(25-13-5-3-6-14-25)26-15-7-4-8-16-26/h3-23H,1-2H3
InChIKeyLMGDGOFMLKKJDP-UHFFFAOYSA-N
MW493.61 g/mol
LogP9.64
Rot. Bonds4

About 10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine

10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine (PubChem CID 154593004) has the molecular formula C35H27NO2 and a molecular weight of 493.61 g/mol. Its IUPAC name is 10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine.

Molecular Properties

Compound Name10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine
PubChem CID154593004
Molecular FormulaC35H27NO2
Molecular Weight493.61 g/mol
Exact Mass493.20
IUPAC Name10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine
SMILESCC1(C)Oc2ccc(-c3c4ccccc4c(N(c4ccccc4)c4ccccc4)c4ccccc34)cc2O1
InChIInChI=1S/C35H27NO2/c1-35(2)37-31-22-21-24(23-32(31)38-35)33-27-17-9-11-19-29(27)34(30-20-12-10-18-28(30)33)36(25-13-5-3-6-14-25)26-15-7-4-8-16-26/h3-23H,1-2H3
InChIKeyLMGDGOFMLKKJDP-UHFFFAOYSA-N
XLogP9.64
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methyl-N,N-diphenylaniline
CID 142500266
2-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenyldibenzofuran-4-amine
CID 148775641
ethane;4-N-[10-(3-methylphenyl)anthracen-9-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143650300
10-[3-methyl-5-[10-(4-methyl-N-(4-methylphenyl)anilino)anthracen-9-yl]phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 158552329
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440
N,N-bis(4-bromophenyl)-4-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3,5-dimethylaniline
CID 142500097
9-methyl-N-phenyl-N-(10-phenylanthracen-9-yl)carbazol-3-amine
CID 58273861
10-[3,5-bis(10-bromoanthracen-9-yl)phenyl]-N,N-bis(4-methylphenyl)anthracen-9-amine
CID 58722432
N,N-bis(4-bromophenyl)-10-(1,1,2,3,3-pentamethylisoindol-5-yl)anthracen-9-amine
CID 142500207
N,N-bis(4-bromophenyl)-10-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)anthracen-9-amine
CID 142500623
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
N-[10-[3,4-bis(ethenyl)phenyl]anthracen-9-yl]-9,10-dinaphthalen-2-yl-N-phenylanthracen-2-amine
CID 143535626

Frequently Asked Questions

What is the IUPAC name of 10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine?
The IUPAC name of 10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine (CID 154593004) is 10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine.
What is the SMILES notation for 10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine?
The canonical SMILES for 10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine is CC1(C)Oc2ccc(-c3c4ccccc4c(N(c4ccccc4)c4ccccc4)c4ccccc34)cc2O1.
What is the InChIKey of 10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine?
The InChIKey is LMGDGOFMLKKJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27NO2/c1-35(2)37-31-22-21-24(23-32(31)38-35)33-27-17-9-11-19-29(27)34(30-20-12-10-18-28(30)33)36(25-13-5-3-6-14-25)26-15-7-4-8-16-26/h3-23H,1-2H3.
What are the key properties of 10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine?
10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine has a molecular weight of 493.61 g/mol, XLogP of 9.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,2-dimethyl-1,3-benzodioxol-5-yl)-N,N-diphenylanthracen-9-amine is sourced from PubChem (CID 154593004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).