N-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine

C33H28N2 — CID 126559875

IUPACN-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine
SMILESCc1ccccc1Nc1ccc2c(c1)NC(c1ccccc1)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H28N2/c1-24-13-11-12-20-30(24)34-28-21-22-29-31(23-28)35-32(25-14-5-2-6-15-25)33(29,26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-23,32,34-35H,1H3
InChIKeyUGHHWVVKIIGJMX-UHFFFAOYSA-N
MW452.60 g/mol
LogP8.24
Rot. Bonds5

About N-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine

N-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine (PubChem CID 126559875) has the molecular formula C33H28N2 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine
PubChem CID126559875
Molecular FormulaC33H28N2
Molecular Weight452.60 g/mol
Exact Mass452.23
IUPAC NameN-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine
SMILESCc1ccccc1Nc1ccc2c(c1)NC(c1ccccc1)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H28N2/c1-24-13-11-12-20-30(24)34-28-21-22-29-31(23-28)35-32(25-14-5-2-6-15-25)33(29,26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-23,32,34-35H,1H3
InChIKeyUGHHWVVKIIGJMX-UHFFFAOYSA-N
XLogP8.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 58.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine?
The IUPAC name of N-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine (CID 126559875) is N-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine.
What is the SMILES notation for N-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine?
The canonical SMILES for N-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine is Cc1ccccc1Nc1ccc2c(c1)NC(c1ccccc1)C2(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine?
The InChIKey is UGHHWVVKIIGJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2/c1-24-13-11-12-20-30(24)34-28-21-22-29-31(23-28)35-32(25-14-5-2-6-15-25)33(29,26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-23,32,34-35H,1H3.
What are the key properties of N-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine?
N-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine has a molecular weight of 452.60 g/mol, XLogP of 8.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2,3,3-triphenyl-1,2-dihydroindol-6-amine is sourced from PubChem (CID 126559875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).