2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane

C64H40BrO2P — CID 159907663

IUPAC2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane
SMILESBrc1c2ccccc2c(-c2ccc3oc4ccccc4c3c2)c2ccccc12.c1ccc(P(c2ccccc2)c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C38H25OP.C26H15BrO/c1-3-13-27(14-4-1)40(28-15-5-2-6-16-28)38-32-20-9-7-18-30(32)37(31-19-8-10-21-33(31)38)26-23-24-36-34(25-26)29-17-11-12-22-35(29)39-36;27-26-20-10-3-1-8-18(20)25(19-9-2-4-11-21(19)26)16-13-14-24-22(15-16)17-7-5-6-12-23(17)28-24/h1-25H;1-15H
InChIKeyNWTXZEXZFNFOGX-UHFFFAOYSA-N
MW951.90 g/mol
LogP17.64
Rot. Bonds5

About 2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane

2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane (PubChem CID 159907663) has the molecular formula C64H40BrO2P and a molecular weight of 951.90 g/mol. Its IUPAC name is 2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane.

Molecular Properties

Compound Name2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane
PubChem CID159907663
Molecular FormulaC64H40BrO2P
Molecular Weight951.90 g/mol
Exact Mass950.19
IUPAC Name2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane
SMILESBrc1c2ccccc2c(-c2ccc3oc4ccccc4c3c2)c2ccccc12.c1ccc(P(c2ccccc2)c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C38H25OP.C26H15BrO/c1-3-13-27(14-4-1)40(28-15-5-2-6-16-28)38-32-20-9-7-18-30(32)37(31-19-8-10-21-33(31)38)26-23-24-36-34(25-26)29-17-11-12-22-35(29)39-36;27-26-20-10-3-1-8-18(20)25(19-9-2-4-11-21(19)26)16-13-14-24-22(15-16)17-7-5-6-12-23(17)28-24/h1-25H;1-15H
InChIKeyNWTXZEXZFNFOGX-UHFFFAOYSA-N
XLogP17.64
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.90
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-(10-bromoanthracen-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654333
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
CID 159334554
CID 159334554
5-(10-bromoanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 170205248
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine
CID 134531373
6-(10-bromoanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 167187045
5-(10-dibenzofuran-2-ylanthracen-9-yl)-1-azahexacyclo[10.6.1.02,7.03,17.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13(18),14,16-nonaene
CID 171716863
19-[10-(10-dibenzofuran-2-ylanthracen-9-yl)anthracen-9-yl]-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154595920
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415848
3-[2-(10-bromoanthracen-9-yl)phenyl]dibenzofuran
CID 176862825

Frequently Asked Questions

What is the IUPAC name of 2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane?
The IUPAC name of 2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane (CID 159907663) is 2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane.
What is the SMILES notation for 2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane?
The canonical SMILES for 2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane is Brc1c2ccccc2c(-c2ccc3oc4ccccc4c3c2)c2ccccc12.c1ccc(P(c2ccccc2)c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane?
The InChIKey is NWTXZEXZFNFOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25OP.C26H15BrO/c1-3-13-27(14-4-1)40(28-15-5-2-6-16-28)38-32-20-9-7-18-30(32)37(31-19-8-10-21-33(31)38)26-23-24-36-34(25-26)29-17-11-12-22-35(29)39-36;27-26-20-10-3-1-8-18(20)25(19-9-2-4-11-21(19)26)16-13-14-24-22(15-16)17-7-5-6-12-23(17)28-24/h1-25H;1-15H.
What are the key properties of 2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane?
2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane has a molecular weight of 951.90 g/mol, XLogP of 17.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-bromoanthracen-9-yl)dibenzofuran;(10-dibenzofuran-2-ylanthracen-9-yl)-diphenylphosphane is sourced from PubChem (CID 159907663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).