1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline

C61H48BrN — CID 159014382

IUPAC1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline
SMILESBrc1ccc(-c2ccccc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C30H23N.C19H16.C12H9Br/c1-4-10-24(11-5-1)26-16-20-29(21-17-26)31(28-14-8-3-9-15-28)30-22-18-27(19-23-30)25-12-6-2-7-13-25;1-3-7-16(8-4-1)15-17-11-13-19(14-12-17)18-9-5-2-6-10-18;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-23H;1-14H,15H2;1-9H
InChIKeyJSXBCQLMUFHKEM-UHFFFAOYSA-N
MW874.97 g/mol
LogP17.55
Rot. Bonds9

About 1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline

1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline (PubChem CID 159014382) has the molecular formula C61H48BrN and a molecular weight of 874.97 g/mol. Its IUPAC name is 1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline
PubChem CID159014382
Molecular FormulaC61H48BrN
Molecular Weight874.97 g/mol
Exact Mass873.30
IUPAC Name1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline
SMILESBrc1ccc(-c2ccccc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C30H23N.C19H16.C12H9Br/c1-4-10-24(11-5-1)26-16-20-29(21-17-26)31(28-14-8-3-9-15-28)30-22-18-27(19-23-30)25-12-6-2-7-13-25;1-3-7-16(8-4-1)15-17-11-13-19(14-12-17)18-9-5-2-6-10-18;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-23H;1-14H,15H2;1-9H
InChIKeyJSXBCQLMUFHKEM-UHFFFAOYSA-N
XLogP17.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.97
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884
N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
CID 121327890
2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 161198926
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N-[4-(4-bromophenyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(4-bromophenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160874814

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline (CID 159014382) is 1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline is Brc1ccc(-c2ccccc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline?
The InChIKey is JSXBCQLMUFHKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N.C19H16.C12H9Br/c1-4-10-24(11-5-1)26-16-20-29(21-17-26)31(28-14-8-3-9-15-28)30-22-18-27(19-23-30)25-12-6-2-7-13-25;1-3-7-16(8-4-1)15-17-11-13-19(14-12-17)18-9-5-2-6-10-18;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-23H;1-14H,15H2;1-9H.
What are the key properties of 1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline?
1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline has a molecular weight of 874.97 g/mol, XLogP of 17.55, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenylbenzene;1-bromo-4-phenylbenzene;N,4-diphenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 159014382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).