N,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine

C40H34N2 — CID 59344251

IUPACN,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine
SMILESCN(C)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)N(c1ccccc1)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H34N2/c1-41(2)36-28-29-37-38(30-36)40(33-22-12-5-13-23-33,34-24-14-6-15-25-34)42(35-26-16-7-17-27-35)39(37,31-18-8-3-9-19-31)32-20-10-4-11-21-32/h3-30H,1-2H3
InChIKeyQTXXIRZDAUYECA-UHFFFAOYSA-N
MW542.73 g/mol
LogP8.86
Rot. Bonds6

About N,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine

N,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine (PubChem CID 59344251) has the molecular formula C40H34N2 and a molecular weight of 542.73 g/mol. Its IUPAC name is N,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine
PubChem CID59344251
Molecular FormulaC40H34N2
Molecular Weight542.73 g/mol
Exact Mass542.27
IUPAC NameN,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine
SMILESCN(C)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)N(c1ccccc1)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H34N2/c1-41(2)36-28-29-37-38(30-36)40(33-22-12-5-13-23-33,34-24-14-6-15-25-34)42(35-26-16-7-17-27-35)39(37,31-18-8-3-9-19-31)32-20-10-4-11-21-32/h3-30H,1-2H3
InChIKeyQTXXIRZDAUYECA-UHFFFAOYSA-N
XLogP8.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.73
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-[1,3,3-tris(4-hydroxyphenyl)-2-phenylisoindol-1-yl]phenol
CID 70880045
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 160501888
1,2-bis(4-methylphenyl)-3,3-diphenylisoindol-1-ol
CID 165351063
N,1,1,2,3,3-hexakis-phenylisoindol-4-amine
CID 59344215
6-(dimethylamino)-3-methyl-1-phenylquinoxalin-2-one
CID 131886156
N-(9,9-dimethylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9-phenylcarbazol-3-amine
CID 162022075
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
N-[4-(6-methyl-9-phenylcarbazol-3-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118282619
17-[4-(dimethylamino)phenyl]-1-methyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione;17-[4-(dimethylamino)phenyl]-1-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 161061221
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine
CID 167334144
2-phenyl-1,1,3,3-tetra(pyrimidin-2-yl)isoindole
CID 59344228
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 160501887

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine?
The IUPAC name of N,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine (CID 59344251) is N,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine.
What is the SMILES notation for N,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine?
The canonical SMILES for N,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine is CN(C)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)N(c1ccccc1)C2(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine?
The InChIKey is QTXXIRZDAUYECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N2/c1-41(2)36-28-29-37-38(30-36)40(33-22-12-5-13-23-33,34-24-14-6-15-25-34)42(35-26-16-7-17-27-35)39(37,31-18-8-3-9-19-31)32-20-10-4-11-21-32/h3-30H,1-2H3.
What are the key properties of N,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine?
N,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine has a molecular weight of 542.73 g/mol, XLogP of 8.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,1,2,3,3-pentakis-phenylisoindol-5-amine is sourced from PubChem (CID 59344251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).