N,1,1,2,3,3-hexakis-phenylisoindol-4-amine

C44H34N2 — CID 59344215

IUPACN,1,1,2,3,3-hexakis-phenylisoindol-4-amine
SMILESc1ccc(Nc2cccc3c2C(c2ccccc2)(c2ccccc2)N(c2ccccc2)C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H34N2/c1-7-20-34(21-8-1)43(35-22-9-2-10-23-35)40-32-19-33-41(45-38-28-15-5-16-29-38)42(40)44(36-24-11-3-12-25-36,37-26-13-4-14-27-37)46(43)39-30-17-6-18-31-39/h1-33,45H
InChIKeyANPFNORKGZJURV-UHFFFAOYSA-N
MW590.77 g/mol
LogP10.53
Rot. Bonds7

About N,1,1,2,3,3-hexakis-phenylisoindol-4-amine

N,1,1,2,3,3-hexakis-phenylisoindol-4-amine (PubChem CID 59344215) has the molecular formula C44H34N2 and a molecular weight of 590.77 g/mol. Its IUPAC name is N,1,1,2,3,3-hexakis-phenylisoindol-4-amine.

Molecular Properties

Compound NameN,1,1,2,3,3-hexakis-phenylisoindol-4-amine
PubChem CID59344215
Molecular FormulaC44H34N2
Molecular Weight590.77 g/mol
Exact Mass590.27
IUPAC NameN,1,1,2,3,3-hexakis-phenylisoindol-4-amine
SMILESc1ccc(Nc2cccc3c2C(c2ccccc2)(c2ccccc2)N(c2ccccc2)C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H34N2/c1-7-20-34(21-8-1)43(35-22-9-2-10-23-35)40-32-19-33-41(45-38-28-15-5-16-29-38)42(40)44(36-24-11-3-12-25-36,37-26-13-4-14-27-37)46(43)39-30-17-6-18-31-39/h1-33,45H
InChIKeyANPFNORKGZJURV-UHFFFAOYSA-N
XLogP10.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 510.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1,1,2,3,3-hexakis-phenylisoindol-4-amine?
The IUPAC name of N,1,1,2,3,3-hexakis-phenylisoindol-4-amine (CID 59344215) is N,1,1,2,3,3-hexakis-phenylisoindol-4-amine.
What is the SMILES notation for N,1,1,2,3,3-hexakis-phenylisoindol-4-amine?
The canonical SMILES for N,1,1,2,3,3-hexakis-phenylisoindol-4-amine is c1ccc(Nc2cccc3c2C(c2ccccc2)(c2ccccc2)N(c2ccccc2)C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,1,1,2,3,3-hexakis-phenylisoindol-4-amine?
The InChIKey is ANPFNORKGZJURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2/c1-7-20-34(21-8-1)43(35-22-9-2-10-23-35)40-32-19-33-41(45-38-28-15-5-16-29-38)42(40)44(36-24-11-3-12-25-36,37-26-13-4-14-27-37)46(43)39-30-17-6-18-31-39/h1-33,45H.
What are the key properties of N,1,1,2,3,3-hexakis-phenylisoindol-4-amine?
N,1,1,2,3,3-hexakis-phenylisoindol-4-amine has a molecular weight of 590.77 g/mol, XLogP of 10.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1,2,3,3-hexakis-phenylisoindol-4-amine is sourced from PubChem (CID 59344215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).