1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene

C25H14Br4N2 — CID 86216342

IUPAC1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene
SMILES[N-]=[N+]=C(c1c(Br)cc(-c2ccccc2)cc1Br)c1c(Br)cc(-c2ccccc2)cc1Br
InChIInChI=1S/C25H14Br4N2/c26-19-11-17(15-7-3-1-4-8-15)12-20(27)23(19)25(31-30)24-21(28)13-18(14-22(24)29)16-9-5-2-6-10-16/h1-14H
InChIKeyTYQCEIDVMXGWAV-UHFFFAOYSA-N
MW662.02 g/mol
LogP9.14
Rot. Bonds4

About 1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene

1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene (PubChem CID 86216342) has the molecular formula C25H14Br4N2 and a molecular weight of 662.02 g/mol. Its IUPAC name is 1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene.

Molecular Properties

Compound Name1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene
PubChem CID86216342
Molecular FormulaC25H14Br4N2
Molecular Weight662.02 g/mol
Exact Mass657.79
IUPAC Name1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene
SMILES[N-]=[N+]=C(c1c(Br)cc(-c2ccccc2)cc1Br)c1c(Br)cc(-c2ccccc2)cc1Br
InChIInChI=1S/C25H14Br4N2/c26-19-11-17(15-7-3-1-4-8-15)12-20(27)23(19)25(31-30)24-21(28)13-18(14-22(24)29)16-9-5-2-6-10-16/h1-14H
InChIKeyTYQCEIDVMXGWAV-UHFFFAOYSA-N
XLogP9.14
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.02
LogP ≤ 59.14
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'}

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Related Compounds

1-Bromo-2-[[2-bromo-4-phenyl-6-(trifluoromethyl)phenyl]-diazomethyl]-5-phenyl-3-(trifluoromethyl)benzene
CID 86096908
1,3-Dibromo-2-[diazo-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methyl]-5-phenylbenzene
CID 90845998
1,3-dibromo-2-[(E)-diazo-[4-phenyl-2,6-bis(trifluoromethyl)phenyl]methyl]-5-phenylbenzene
CID 177548885
1,1'-(Diazomethylene)bis(2,6-dibromo-4-tert-butylbenzene)
CID 71349692
Bis(2,6-dibromo-4-methylphenyl)-diazomethane
CID 85701167
1,3-Dibromo-2-[(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene
CID 91468262
2-Bromo-1-[diazo(phenyl)methyl]pyrene
CID 145863134
1-[3,5-Dibromo-4-[diazo-[2,6-dibromo-4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]methyl]phenyl]-2,3,4,5,6-pentakis-phenylbenzene
CID 101183761
1,3-Dibromo-2-[diazo-(2,6-dimethyl-4-phenylphenyl)methyl]-5-phenylbenzene
CID 101225483
1,3,5-Tribromo-2-[diazo-(2,6-dibromo-4-tert-butylphenyl)methyl]benzene
CID 101245421
1-[Bis(4-bromophenyl)methyl]-4-[(4-tert-butylphenyl)-diazomethyl]benzene
CID 101332428
1,3-Dibromo-2-(2,6-dibromo-4-phenylphenyl)-5-phenylbenzene
CID 101554199

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene?
The IUPAC name of 1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene (CID 86216342) is 1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene.
What is the SMILES notation for 1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene?
The canonical SMILES for 1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene is [N-]=[N+]=C(c1c(Br)cc(-c2ccccc2)cc1Br)c1c(Br)cc(-c2ccccc2)cc1Br.
What is the InChIKey of 1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene?
The InChIKey is TYQCEIDVMXGWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14Br4N2/c26-19-11-17(15-7-3-1-4-8-15)12-20(27)23(19)25(31-30)24-21(28)13-18(14-22(24)29)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene?
1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene has a molecular weight of 662.02 g/mol, XLogP of 9.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-[diazo-(2,6-dibromo-4-phenylphenyl)methyl]-5-phenylbenzene is sourced from PubChem (CID 86216342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).