4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline

C40H41Br2N3 — CID 155172772

IUPAC4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline
SMILESCC(C)(Br)c1ccc(N(c2ccc(N3c4ccccc4N(C(C)(C)C)c4ccccc43)cc2)c2ccc(C(C)(C)Br)cc2)cc1
InChIInChI=1S/C40H41Br2N3/c1-38(2,3)45-36-14-10-8-12-34(36)44(35-13-9-11-15-37(35)45)33-26-24-32(25-27-33)43(30-20-16-28(17-21-30)39(4,5)41)31-22-18-29(19-23-31)40(6,7)42/h8-27H,1-7H3
InChIKeyYFZDCWQSLRLQJS-UHFFFAOYSA-N
MW723.60 g/mol
LogP13.14
Rot. Bonds6

About 4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline

4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline (PubChem CID 155172772) has the molecular formula C40H41Br2N3 and a molecular weight of 723.60 g/mol. Its IUPAC name is 4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline
PubChem CID155172772
Molecular FormulaC40H41Br2N3
Molecular Weight723.60 g/mol
Exact Mass721.17
IUPAC Name4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline
SMILESCC(C)(Br)c1ccc(N(c2ccc(N3c4ccccc4N(C(C)(C)C)c4ccccc43)cc2)c2ccc(C(C)(C)Br)cc2)cc1
InChIInChI=1S/C40H41Br2N3/c1-38(2,3)45-36-14-10-8-12-34(36)44(35-13-9-11-15-37(35)45)33-26-24-32(25-27-33)43(30-20-16-28(17-21-30)39(4,5)41)31-22-18-29(19-23-31)40(6,7)42/h8-27H,1-7H3
InChIKeyYFZDCWQSLRLQJS-UHFFFAOYSA-N
XLogP13.14
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.60
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline?
The IUPAC name of 4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline (CID 155172772) is 4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline.
What is the SMILES notation for 4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline?
The canonical SMILES for 4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline is CC(C)(Br)c1ccc(N(c2ccc(N3c4ccccc4N(C(C)(C)C)c4ccccc43)cc2)c2ccc(C(C)(C)Br)cc2)cc1.
What is the InChIKey of 4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline?
The InChIKey is YFZDCWQSLRLQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41Br2N3/c1-38(2,3)45-36-14-10-8-12-34(36)44(35-13-9-11-15-37(35)45)33-26-24-32(25-27-33)43(30-20-16-28(17-21-30)39(4,5)41)31-22-18-29(19-23-31)40(6,7)42/h8-27H,1-7H3.
What are the key properties of 4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline?
4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline has a molecular weight of 723.60 g/mol, XLogP of 13.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromopropan-2-yl)-N-[4-(2-bromopropan-2-yl)phenyl]-N-[4-(10-tert-butylphenazin-5-yl)phenyl]aniline is sourced from PubChem (CID 155172772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).