(2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane

C31H21Br2P — CID 12591469

IUPAC(2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane
SMILESBrc1ccc2c(c1)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(Br)ccc1-2
InChIInChI=1S/C31H21Br2P/c32-22-16-18-27-28-19-17-23(33)21-30(28)31(29(27)20-22)34(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-21H
InChIKeyQPQIZPPTDLHQCP-UHFFFAOYSA-N
MW584.29 g/mol
LogP7.75
Rot. Bonds3

About (2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane

(2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane (PubChem CID 12591469) has the molecular formula C31H21Br2P and a molecular weight of 584.29 g/mol. Its IUPAC name is (2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name(2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane
PubChem CID12591469
Molecular FormulaC31H21Br2P
Molecular Weight584.29 g/mol
Exact Mass581.97
IUPAC Name(2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane
SMILESBrc1ccc2c(c1)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(Br)ccc1-2
InChIInChI=1S/C31H21Br2P/c32-22-16-18-27-28-19-17-23(33)21-30(28)31(29(27)20-22)34(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-21H
InChIKeyQPQIZPPTDLHQCP-UHFFFAOYSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.29
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-9-(triphenyl-λ5-phosphanylidene)fluoren-2-amine
CID 91745838
2-bromo-9-methylidenefluorene
CID 89181639
2,7-dibromophenanthrene-9,10-dione
CID 159425513
1,3-dibromocyclodeca-1,3,5,7,9-pentaene
CID 144708258
2-bromo-11-methylidenebenzo[b]fluorene
CID 142293502
10,18-dibromo-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 121446796
4-bromo-1-(4-bromophenyl)-2-diphenylphosphoryloxybenzene
CID 175227137
4-bromo-2-chloro-1-phenylbenzene
CID 13457416
4-bromo-N-(4-bromophenyl)-2-(2-phenylphenyl)aniline
CID 141276570
2-bromotetracene-5,12-dione
CID 15745128
2,7-dibromo-9-sulfinylfluorene
CID 134924114
4-bromo-2-(2-hydroxyphenyl)phenol
CID 11219298

Frequently Asked Questions

What is the IUPAC name of (2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane?
The IUPAC name of (2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane (CID 12591469) is (2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane.
What is the SMILES notation for (2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane?
The canonical SMILES for (2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane is Brc1ccc2c(c1)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(Br)ccc1-2.
What is the InChIKey of (2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane?
The InChIKey is QPQIZPPTDLHQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21Br2P/c32-22-16-18-27-28-19-17-23(33)21-30(28)31(29(27)20-22)34(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-21H.
What are the key properties of (2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane?
(2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane has a molecular weight of 584.29 g/mol, XLogP of 7.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dibromofluoren-9-ylidene)-triphenyl-λ5-phosphane is sourced from PubChem (CID 12591469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).