bromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane

C35H27Br2N2P — CID 134932896

IUPACbromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane
SMILESCc1cc(-c2cccc(-c3ccccn3)n2)c(P(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Br
InChIInChI=1S/C35H27Br2N2P/c1-26-24-30(32-21-13-22-34(39-32)33-20-11-12-23-38-33)35(25-31(26)36)40(37,27-14-5-2-6-15-27,28-16-7-3-8-17-28)29-18-9-4-10-19-29/h2-25H,1H3
InChIKeyPIFZCFPOYBHDOA-UHFFFAOYSA-N
MW666.40 g/mol
LogP8.35
Rot. Bonds6

About bromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane

bromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane (PubChem CID 134932896) has the molecular formula C35H27Br2N2P and a molecular weight of 666.40 g/mol. Its IUPAC name is bromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane
PubChem CID134932896
Molecular FormulaC35H27Br2N2P
Molecular Weight666.40 g/mol
Exact Mass664.03
IUPAC Namebromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane
SMILESCc1cc(-c2cccc(-c3ccccn3)n2)c(P(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Br
InChIInChI=1S/C35H27Br2N2P/c1-26-24-30(32-21-13-22-34(39-32)33-20-11-12-23-38-33)35(25-31(26)36)40(37,27-14-5-2-6-15-27,28-16-7-3-8-17-28)29-18-9-4-10-19-29/h2-25H,1H3
InChIKeyPIFZCFPOYBHDOA-UHFFFAOYSA-N
XLogP8.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.40
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4'-(4-Bromophenyl)-2,2':6',2''-terpyridine
CID 10762837
5-(4-Bromophenyl)-2,2'-bipyridine
CID 12186608
6-(4-Bromophenyl)-4-(4-fluorophenyl)-2,2'-bipyridine
CID 73891082
2-(4-Bromo-4'-(tert-butyl)-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908957
1-[(4-Bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 751073
4-(4-Bromophenyl)-2-[(4-methylpiperidin-1-yl)methyl]pyridine
CID 172448123
2-(5-Bromo-2-pyridinyl)-5-butylpyridine
CID 11119836
13-(4-Bromophenyl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
CID 11430592
2-(5-Bromo-2-pyridinyl)-5-hexylpyridine
CID 11758980
12-(4-Bromophenyl)-4,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,12,15(20),16,18-nonaene
CID 15265608
Pyridine, 2,2'-(5-bromo-1,3-phenylene)bis-
CID 11007216
2,3-Bis(4-bromophenyl)pyrazine
CID 13171295

Frequently Asked Questions

What is the IUPAC name of bromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane?
The IUPAC name of bromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane (CID 134932896) is bromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane.
What is the SMILES notation for bromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane?
The canonical SMILES for bromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane is Cc1cc(-c2cccc(-c3ccccn3)n2)c(P(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Br.
What is the InChIKey of bromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane?
The InChIKey is PIFZCFPOYBHDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27Br2N2P/c1-26-24-30(32-21-13-22-34(39-32)33-20-11-12-23-38-33)35(25-31(26)36)40(37,27-14-5-2-6-15-27,28-16-7-3-8-17-28)29-18-9-4-10-19-29/h2-25H,1H3.
What are the key properties of bromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane?
bromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane has a molecular weight of 666.40 g/mol, XLogP of 8.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[5-bromo-4-methyl-2-(6-pyridin-2-yl-2-pyridinyl)phenyl]-triphenyl-λ5-phosphane is sourced from PubChem (CID 134932896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).