4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine

C48H42Br2N2 — CID 58231928

IUPAC4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine
SMILESCC(C)(c1ccccc1)c1ccc(N(c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)c2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C48H42Br2N2/c1-47(2,35-11-7-5-8-12-35)37-15-23-41(24-16-37)51(42-25-17-38(18-26-42)48(3,4)36-13-9-6-10-14-36)45-31-33-46(34-32-45)52(43-27-19-39(49)20-28-43)44-29-21-40(50)22-30-44/h5-34H,1-4H3
InChIKeyQVYZDVAIMVRTHZ-UHFFFAOYSA-N
MW806.69 g/mol
LogP14.80
Rot. Bonds10

About 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine

4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine (PubChem CID 58231928) has the molecular formula C48H42Br2N2 and a molecular weight of 806.69 g/mol. Its IUPAC name is 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine
PubChem CID58231928
Molecular FormulaC48H42Br2N2
Molecular Weight806.69 g/mol
Exact Mass804.17
IUPAC Name4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine
SMILESCC(C)(c1ccccc1)c1ccc(N(c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)c2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C48H42Br2N2/c1-47(2,35-11-7-5-8-12-35)37-15-23-41(24-16-37)51(42-25-17-38(18-26-42)48(3,4)36-13-9-6-10-14-36)45-31-33-46(34-32-45)52(43-27-19-39(49)20-28-43)44-29-21-40(50)22-30-44/h5-34H,1-4H3
InChIKeyQVYZDVAIMVRTHZ-UHFFFAOYSA-N
XLogP14.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.69
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine (CID 58231928) is 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine is CC(C)(c1ccccc1)c1ccc(N(c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)c2ccc(C(C)(C)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine?
The InChIKey is QVYZDVAIMVRTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42Br2N2/c1-47(2,35-11-7-5-8-12-35)37-15-23-41(24-16-37)51(42-25-17-38(18-26-42)48(3,4)36-13-9-6-10-14-36)45-31-33-46(34-32-45)52(43-27-19-39(49)20-28-43)44-29-21-40(50)22-30-44/h5-34H,1-4H3.
What are the key properties of 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine?
4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine has a molecular weight of 806.69 g/mol, XLogP of 14.80, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(4-bromophenyl)-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 58231928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).