3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline

C37H28BrN — CID 155327608

IUPAC3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESBrCc1cccc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)c1
InChIInChI=1S/C37H28BrN/c38-27-28-9-7-14-33(25-28)34-15-8-16-37(26-34)39(35-21-17-31(18-22-35)29-10-3-1-4-11-29)36-23-19-32(20-24-36)30-12-5-2-6-13-30/h1-26H,27H2
InChIKeyKSZRWTMAVLVWBZ-UHFFFAOYSA-N
MW566.54 g/mol
LogP11.05
Rot. Bonds7

About 3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline

3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline (PubChem CID 155327608) has the molecular formula C37H28BrN and a molecular weight of 566.54 g/mol. Its IUPAC name is 3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline
PubChem CID155327608
Molecular FormulaC37H28BrN
Molecular Weight566.54 g/mol
Exact Mass565.14
IUPAC Name3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline
SMILESBrCc1cccc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)c1
InChIInChI=1S/C37H28BrN/c38-27-28-9-7-14-33(25-28)34-15-8-16-37(26-34)39(35-21-17-31(18-22-35)29-10-3-1-4-11-29)36-23-19-32(20-24-36)30-12-5-2-6-13-30/h1-26H,27H2
InChIKeyKSZRWTMAVLVWBZ-UHFFFAOYSA-N
XLogP11.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.54
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
N,N-diphenylaniline;N,4-diphenyl-N-(4-phenylphenyl)aniline;ethane;3-phenyl-N,N-bis(3-phenylphenyl)aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;N,N,4-triphenylaniline;N,3,5-triphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159185873
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
N,N-diphenyl-4-[4-(N-[4-[3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]aniline
CID 59566446
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428

Frequently Asked Questions

What is the IUPAC name of 3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline (CID 155327608) is 3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline is BrCc1cccc(-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2)c1.
What is the InChIKey of 3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is KSZRWTMAVLVWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28BrN/c38-27-28-9-7-14-33(25-28)34-15-8-16-37(26-34)39(35-21-17-31(18-22-35)29-10-3-1-4-11-29)36-23-19-32(20-24-36)30-12-5-2-6-13-30/h1-26H,27H2.
What are the key properties of 3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline?
3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 566.54 g/mol, XLogP of 11.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 155327608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).