3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline

C36H24Br4N2 — CID 58500380

IUPAC3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline
SMILESBrc1cccc(N(c2ccc(-c3ccc(N(c4cccc(Br)c4)c4cccc(Br)c4)cc3)cc2)c2cccc(Br)c2)c1
InChIInChI=1S/C36H24Br4N2/c37-27-5-1-9-33(21-27)41(34-10-2-6-28(38)22-34)31-17-13-25(14-18-31)26-15-19-32(20-16-26)42(35-11-3-7-29(39)23-35)36-12-4-8-30(40)24-36/h1-24H
InChIKeyJKOSHCYTTHCXDI-UHFFFAOYSA-N
MW804.22 g/mol
LogP13.34
Rot. Bonds7

About 3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline

3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline (PubChem CID 58500380) has the molecular formula C36H24Br4N2 and a molecular weight of 804.22 g/mol. Its IUPAC name is 3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline.

Molecular Properties

Compound Name3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline
PubChem CID58500380
Molecular FormulaC36H24Br4N2
Molecular Weight804.22 g/mol
Exact Mass799.87
IUPAC Name3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline
SMILESBrc1cccc(N(c2ccc(-c3ccc(N(c4cccc(Br)c4)c4cccc(Br)c4)cc3)cc2)c2cccc(Br)c2)c1
InChIInChI=1S/C36H24Br4N2/c37-27-5-1-9-33(21-27)41(34-10-2-6-28(38)22-34)31-17-13-25(14-18-31)26-15-19-32(20-16-26)42(35-11-3-7-29(39)23-35)36-12-4-8-30(40)24-36/h1-24H
InChIKeyJKOSHCYTTHCXDI-UHFFFAOYSA-N
XLogP13.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.22
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155424037
3,5-dibromo-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 121443838
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
3-bromo-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 149383852
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
4-(4-bromophenyl)-N,N-diphenylaniline;ethane
CID 143813884
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline?
The IUPAC name of 3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline (CID 58500380) is 3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline.
What is the SMILES notation for 3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline?
The canonical SMILES for 3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline is Brc1cccc(N(c2ccc(-c3ccc(N(c4cccc(Br)c4)c4cccc(Br)c4)cc3)cc2)c2cccc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline?
The InChIKey is JKOSHCYTTHCXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24Br4N2/c37-27-5-1-9-33(21-27)41(34-10-2-6-28(38)22-34)31-17-13-25(14-18-31)26-15-19-32(20-16-26)42(35-11-3-7-29(39)23-35)36-12-4-8-30(40)24-36/h1-24H.
What are the key properties of 3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline?
3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline has a molecular weight of 804.22 g/mol, XLogP of 13.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-[4-(3-bromo-N-(3-bromophenyl)anilino)phenyl]phenyl]-N-(3-bromophenyl)aniline is sourced from PubChem (CID 58500380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).