N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline

C41H36Br2N2 — CID 58210318

IUPACN-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline
SMILESCCCCc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(Br)cc4)cc3)cc2)cc1
InChIInChI=1S/C41H36Br2N2/c1-3-4-5-31-8-20-37(21-9-31)45(41-28-16-35(43)17-29-41)39-24-12-33(13-25-39)32-10-22-38(23-11-32)44(36-18-6-30(2)7-19-36)40-26-14-34(42)15-27-40/h6-29H,3-5H2,1-2H3
InChIKeyHWNNMBRQMXZWCF-UHFFFAOYSA-N
MW716.56 g/mol
LogP13.47
Rot. Bonds10

About N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline

N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline (PubChem CID 58210318) has the molecular formula C41H36Br2N2 and a molecular weight of 716.56 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline
PubChem CID58210318
Molecular FormulaC41H36Br2N2
Molecular Weight716.56 g/mol
Exact Mass714.12
IUPAC NameN-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline
SMILESCCCCc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(Br)cc4)cc3)cc2)cc1
InChIInChI=1S/C41H36Br2N2/c1-3-4-5-31-8-20-37(21-9-31)45(41-28-16-35(43)17-29-41)39-24-12-33(13-25-39)32-10-22-38(23-11-32)44(36-18-6-30(2)7-19-36)40-26-14-34(42)15-27-40/h6-29H,3-5H2,1-2H3
InChIKeyHWNNMBRQMXZWCF-UHFFFAOYSA-N
XLogP13.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.56
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
CID 89216957
CID 89216957
4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]butan-1-ol
CID 67358855
N-(4-bromophenyl)-N-[4-[[4-[N-(4-bromophenyl)-4-(4-hexylphenyl)anilino]phenyl]-diphenylsilyl]phenyl]-4-(4-hexylphenyl)aniline
CID 164836340
4-butyl-N-[4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-[N-(4-butyl-2,6-dimethylphenyl)-4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 90265201
1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butylphenyl)-2,5-difluorobenzene-1,4-diamine
CID 59800413
4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline
CID 59682229
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine
CID 59682226

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline?
The IUPAC name of N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline (CID 58210318) is N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline.
What is the SMILES notation for N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline?
The canonical SMILES for N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline is CCCCc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(Br)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline?
The InChIKey is HWNNMBRQMXZWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36Br2N2/c1-3-4-5-31-8-20-37(21-9-31)45(41-28-16-35(43)17-29-41)39-24-12-33(13-25-39)32-10-22-38(23-11-32)44(36-18-6-30(2)7-19-36)40-26-14-34(42)15-27-40/h6-29H,3-5H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline?
N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline has a molecular weight of 716.56 g/mol, XLogP of 13.47, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-butylanilino)phenyl]phenyl]-4-methylaniline is sourced from PubChem (CID 58210318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).