1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene

C30H26Br2N2 — CID 101332428

IUPAC1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene
SMILESCC(C)(C)c1ccc(C(=[N+]=[N-])c2ccc(C(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C30H26Br2N2/c1-30(2,3)25-14-8-24(9-15-25)29(34-33)23-6-4-20(5-7-23)28(21-10-16-26(31)17-11-21)22-12-18-27(32)19-13-22/h4-19,28H,1-3H3
InChIKeyWFVRDAVBBVFQEJ-UHFFFAOYSA-N
MW574.36 g/mol
LogP8.76
Rot. Bonds5

About 1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene

1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene (PubChem CID 101332428) has the molecular formula C30H26Br2N2 and a molecular weight of 574.36 g/mol. Its IUPAC name is 1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene.

Molecular Properties

Compound Name1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene
PubChem CID101332428
Molecular FormulaC30H26Br2N2
Molecular Weight574.36 g/mol
Exact Mass572.05
IUPAC Name1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene
SMILESCC(C)(C)c1ccc(C(=[N+]=[N-])c2ccc(C(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C30H26Br2N2/c1-30(2,3)25-14-8-24(9-15-25)29(34-33)23-6-4-20(5-7-23)28(21-10-16-26(31)17-11-21)22-12-18-27(32)19-13-22/h4-19,28H,1-3H3
InChIKeyWFVRDAVBBVFQEJ-UHFFFAOYSA-N
XLogP8.76
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.36
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3,5-Bis(4-bromophenyl)-4,4-dimethylpyrazole
CID 10453976
5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine
CID 626800
3,7-Bis(4-bromophenyl)-5-phenyl-4H-1,2-diazepine
CID 626801
(E)-[(4-bromophenyl)-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methylidene]hydrazine
CID 57679546
(E)-[(4-bromophenyl)-(3,5,5,8,8-pentamethylnaphthalen-2-yl)methylidene]hydrazine
CID 57679636
5,6-Bis[4-(4-bromophenyl)phenyl]-2,3-dihydropyrazine
CID 58852573
1-Bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]-4-methylpentan-2-yl]phenyl]benzene
CID 71134575
1-Bromo-4-[4-[4-methyl-2-[4-(4-methylphenyl)phenyl]pentan-2-yl]phenyl]benzene
CID 71135292
CID 71216857
CID 71216857
1-Bromo-4-[4-[2-[4-(4-bromophenyl)phenyl]propan-2-yl]phenyl]benzene
CID 89733407
1-Bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene
CID 90916342
1-[Bis(4-bromophenyl)-(4-methylphenyl)methyl]-4-bromobenzene
CID 123288717

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene?
The IUPAC name of 1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene (CID 101332428) is 1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene.
What is the SMILES notation for 1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene?
The canonical SMILES for 1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene is CC(C)(C)c1ccc(C(=[N+]=[N-])c2ccc(C(c3ccc(Br)cc3)c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of 1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene?
The InChIKey is WFVRDAVBBVFQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Br2N2/c1-30(2,3)25-14-8-24(9-15-25)29(34-33)23-6-4-20(5-7-23)28(21-10-16-26(31)17-11-21)22-12-18-27(32)19-13-22/h4-19,28H,1-3H3.
What are the key properties of 1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene?
1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene has a molecular weight of 574.36 g/mol, XLogP of 8.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene is sourced from PubChem (CID 101332428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).