1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane

C44H34BrO2P — CID 145007051

IUPAC1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane
SMILESBrc1cccc2oc3ccc(-c4ccccc4)cc3c12.CC.Pc1cccc2oc3c(-c4cccc(-c5ccccc5)c4)cccc3c12
InChIInChI=1S/C24H17OP.C18H11BrO.C2H6/c26-22-14-6-13-21-23(22)20-12-5-11-19(24(20)25-21)18-10-4-9-17(15-18)16-7-2-1-3-8-16;19-15-7-4-8-17-18(15)14-11-13(9-10-16(14)20-17)12-5-2-1-3-6-12;1-2/h1-15H,26H2;1-11H;1-2H3
InChIKeyLHXODSLFXNFMIS-UHFFFAOYSA-N
MW705.63 g/mol
LogP13.46
Rot. Bonds3

About 1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane

1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane (PubChem CID 145007051) has the molecular formula C44H34BrO2P and a molecular weight of 705.63 g/mol. Its IUPAC name is 1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane.

Molecular Properties

Compound Name1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane
PubChem CID145007051
Molecular FormulaC44H34BrO2P
Molecular Weight705.63 g/mol
Exact Mass704.15
IUPAC Name1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane
SMILESBrc1cccc2oc3ccc(-c4ccccc4)cc3c12.CC.Pc1cccc2oc3c(-c4cccc(-c5ccccc5)c4)cccc3c12
InChIInChI=1S/C24H17OP.C18H11BrO.C2H6/c26-22-14-6-13-21-23(22)20-12-5-11-19(24(20)25-21)18-10-4-9-17(15-18)16-7-2-1-3-8-16;19-15-7-4-8-17-18(15)14-11-13(9-10-16(14)20-17)12-5-2-1-3-6-12;1-2/h1-15H,26H2;1-11H;1-2H3
InChIKeyLHXODSLFXNFMIS-UHFFFAOYSA-N
XLogP13.46
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.63
LogP ≤ 513.46
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

1-bromo-8-[3-(3-phenylphenyl)phenyl]dibenzofuran
CID 138618454
7-[3-(3,5-diphenylphenyl)phenyl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 162495178
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 134199171
6-(3-phenylphenyl)dibenzofuran-1-ol
CID 155038866
5,18-diphenyl-11-(3-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 58004208
2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 148688171
5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651034
2,4-diphenyl-6-[6-[3-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952873
2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 156558260

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane?
The IUPAC name of 1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane (CID 145007051) is 1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane.
What is the SMILES notation for 1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane?
The canonical SMILES for 1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane is Brc1cccc2oc3ccc(-c4ccccc4)cc3c12.CC.Pc1cccc2oc3c(-c4cccc(-c5ccccc5)c4)cccc3c12.
What is the InChIKey of 1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane?
The InChIKey is LHXODSLFXNFMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17OP.C18H11BrO.C2H6/c26-22-14-6-13-21-23(22)20-12-5-11-19(24(20)25-21)18-10-4-9-17(15-18)16-7-2-1-3-8-16;19-15-7-4-8-17-18(15)14-11-13(9-10-16(14)20-17)12-5-2-1-3-6-12;1-2/h1-15H,26H2;1-11H;1-2H3.
What are the key properties of 1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane?
1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane has a molecular weight of 705.63 g/mol, XLogP of 13.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-phenyldibenzofuran;ethane;[6-(3-phenylphenyl)dibenzofuran-1-yl]phosphane is sourced from PubChem (CID 145007051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).