1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine

C30H20Br4N2 — CID 14169684

IUPAC1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C30H20Br4N2/c31-21-1-9-25(10-2-21)35(26-11-3-22(32)4-12-26)29-17-19-30(20-18-29)36(27-13-5-23(33)6-14-27)28-15-7-24(34)8-16-28/h1-20H
InChIKeyVBQLPFDITKJLJZ-UHFFFAOYSA-N
MW728.12 g/mol
LogP11.68
Rot. Bonds6

About 1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine

1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine (PubChem CID 14169684) has the molecular formula C30H20Br4N2 and a molecular weight of 728.12 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine
PubChem CID14169684
Molecular FormulaC30H20Br4N2
Molecular Weight728.12 g/mol
Exact Mass723.84
IUPAC Name1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine
SMILESBrc1ccc(N(c2ccc(Br)cc2)c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C30H20Br4N2/c31-21-1-9-25(10-2-21)35(26-11-3-22(32)4-12-26)29-17-19-30(20-18-29)36(27-13-5-23(33)6-14-27)28-15-7-24(34)8-16-28/h1-20H
InChIKeyVBQLPFDITKJLJZ-UHFFFAOYSA-N
XLogP11.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.12
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine (CID 14169684) is 1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine is Brc1ccc(N(c2ccc(Br)cc2)c2ccc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine?
The InChIKey is VBQLPFDITKJLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Br4N2/c31-21-1-9-25(10-2-21)35(26-11-3-22(32)4-12-26)29-17-19-30(20-18-29)36(27-13-5-23(33)6-14-27)28-15-7-24(34)8-16-28/h1-20H.
What are the key properties of 1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine?
1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine has a molecular weight of 728.12 g/mol, XLogP of 11.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetrakis(4-bromophenyl)benzene-1,4-diamine is sourced from PubChem (CID 14169684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).