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

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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).