N-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline

C25H20BrN — CID 10835582

IUPACN-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc(Br)cc3)cc2)c1
InChIInChI=1S/C25H20BrN/c1-19-6-5-9-25(18-19)27(23-7-3-2-4-8-23)24-16-12-21(13-17-24)20-10-14-22(26)15-11-20/h2-18H,1H3
InChIKeyDGZZWEGHULMXMV-UHFFFAOYSA-N
MW414.35 g/mol
LogP7.89
Rot. Bonds4

About N-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline

N-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline (PubChem CID 10835582) has the molecular formula C25H20BrN and a molecular weight of 414.35 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline
PubChem CID10835582
Molecular FormulaC25H20BrN
Molecular Weight414.35 g/mol
Exact Mass413.08
IUPAC NameN-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-c3ccc(Br)cc3)cc2)c1
InChIInChI=1S/C25H20BrN/c1-19-6-5-9-25(18-19)27(23-7-3-2-4-8-23)24-16-12-21(13-17-24)20-10-14-22(26)15-11-20/h2-18H,1H3
InChIKeyDGZZWEGHULMXMV-UHFFFAOYSA-N
XLogP7.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.35
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline?
The IUPAC name of N-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline (CID 10835582) is N-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline.
What is the SMILES notation for N-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline?
The canonical SMILES for N-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline is Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(Br)cc3)cc2)c1.
What is the InChIKey of N-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline?
The InChIKey is DGZZWEGHULMXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN/c1-19-6-5-9-25(18-19)27(23-7-3-2-4-8-23)24-16-12-21(13-17-24)20-10-14-22(26)15-11-20/h2-18H,1H3.
What are the key properties of N-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline?
N-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline has a molecular weight of 414.35 g/mol, XLogP of 7.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)phenyl]-3-methyl-N-phenylaniline is sourced from PubChem (CID 10835582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).