N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline

C38H36Br2N2 — CID 142951894

IUPACN-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline
SMILESCc1ccc(N(c2ccc(Br)cc2)c2ccc(C3CCC(N(c4ccc(C)cc4)c4ccc(Br)cc4)CC3)cc2)cc1
InChIInChI=1S/C38H36Br2N2/c1-27-3-15-33(16-4-27)41(37-23-11-31(39)12-24-37)35-19-7-29(8-20-35)30-9-21-36(22-10-30)42(34-17-5-28(2)6-18-34)38-25-13-32(40)14-26-38/h3-8,11-20,23-26,30,36H,9-10,21-22H2,1-2H3
InChIKeyRPVZKZUWNAJNKI-UHFFFAOYSA-N
MW680.53 g/mol
LogP12.16
Rot. Bonds7

About N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline

N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline (PubChem CID 142951894) has the molecular formula C38H36Br2N2 and a molecular weight of 680.53 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline
PubChem CID142951894
Molecular FormulaC38H36Br2N2
Molecular Weight680.53 g/mol
Exact Mass678.12
IUPAC NameN-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline
SMILESCc1ccc(N(c2ccc(Br)cc2)c2ccc(C3CCC(N(c4ccc(C)cc4)c4ccc(Br)cc4)CC3)cc2)cc1
InChIInChI=1S/C38H36Br2N2/c1-27-3-15-33(16-4-27)41(37-23-11-31(39)12-24-37)35-19-7-29(8-20-35)30-9-21-36(22-10-30)42(34-17-5-28(2)6-18-34)38-25-13-32(40)14-26-38/h3-8,11-20,23-26,30,36H,9-10,21-22H2,1-2H3
InChIKeyRPVZKZUWNAJNKI-UHFFFAOYSA-N
XLogP12.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.53
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline with MolForge

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Related Compounds

3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)benzene-1,3-diamine
CID 142500584
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline
CID 58383017
4-N-[4-(4-cyclopropylphenyl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 54264729
N-[3-cyclopentyl-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]-4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
CID 163551615
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 170842748
1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine
CID 89264560
4-methyl-N-(4-methylcyclohexyl)-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]aniline
CID 129067747

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline?
The IUPAC name of N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline (CID 142951894) is N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline.
What is the SMILES notation for N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline?
The canonical SMILES for N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline is Cc1ccc(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-methylanilino)phenyl]cyclohexyl]-4-methylaniline?
The InChIKey is RPVZKZUWNAJNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36Br2N2/c1-27-3-15-33(16-4-27)41(37-23-11-31(39)12-24-37)35-19-7-29(8-20-35)30-9-21-36(22-10-30)42(34-17-5-28(2)6-18-34)38-25-13-32(40)14-26-38/h3-8,11-20,23-26,30,36H,9-10,21-22H2,1-2H3.
What are the key properties of N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline?
N-(4-bromophenyl)-N-[4-[4-(N-(4-bromophenyl)-4-methylanilino)phenyl]cyclohexyl]-4-methylaniline has a molecular weight of 680.53 g/mol, XLogP of 12.16, 7 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-methylanilino)phenyl]cyclohexyl]-4-methylaniline is sourced from PubChem (CID 142951894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).