N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline

C34H29Br2N — CID 170413315

IUPACN-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline
SMILESCC(C)(C)c1cc(Br)cc(N(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C34H29Br2N/c1-34(2,3)27-21-29(36)23-31(22-27)37(30-17-15-28(35)16-18-30)33-19-14-26(24-10-6-4-7-11-24)20-32(33)25-12-8-5-9-13-25/h4-23H,1-3H3
InChIKeyUHVPABOCTFWXPE-UHFFFAOYSA-N
MW611.42 g/mol
LogP11.31
Rot. Bonds5

About N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline

N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline (PubChem CID 170413315) has the molecular formula C34H29Br2N and a molecular weight of 611.42 g/mol. Its IUPAC name is N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline.

Molecular Properties

Compound NameN-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline
PubChem CID170413315
Molecular FormulaC34H29Br2N
Molecular Weight611.42 g/mol
Exact Mass609.07
IUPAC NameN-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline
SMILESCC(C)(C)c1cc(Br)cc(N(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C34H29Br2N/c1-34(2,3)27-21-29(36)23-31(22-27)37(30-17-15-28(35)16-18-30)33-19-14-26(24-10-6-4-7-11-24)20-32(33)25-12-8-5-9-13-25/h4-23H,1-3H3
InChIKeyUHVPABOCTFWXPE-UHFFFAOYSA-N
XLogP11.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.42
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-bromophenyl)-2,4-diphenylaniline
CID 146208364
N-(3-bromo-5-tert-butylphenyl)-N-[4-(3,5-ditert-butylphenyl)phenyl]-2,6-diphenylaniline
CID 171607316
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
3-bromo-5-tert-butyl-N,N-diphenylaniline
CID 164760129
N-(3-bromo-5-tert-butylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 177067483
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline
CID 142746533
N-[4-[4-(4-bromo-N-(2-phenylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)-2-phenylaniline
CID 155198907
2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline?
The IUPAC name of N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline (CID 170413315) is N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline.
What is the SMILES notation for N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline?
The canonical SMILES for N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline is CC(C)(C)c1cc(Br)cc(N(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2-c2ccccc2)c1.
What is the InChIKey of N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline?
The InChIKey is UHVPABOCTFWXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29Br2N/c1-34(2,3)27-21-29(36)23-31(22-27)37(30-17-15-28(35)16-18-30)33-19-14-26(24-10-6-4-7-11-24)20-32(33)25-12-8-5-9-13-25/h4-23H,1-3H3.
What are the key properties of N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline?
N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline has a molecular weight of 611.42 g/mol, XLogP of 11.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-tert-butylphenyl)-N-(4-bromophenyl)-2,4-diphenylaniline is sourced from PubChem (CID 170413315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).