2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine

C31H18BrNO — CID 134531373

IUPAC2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cn1
InChIInChI=1S/C31H18BrNO/c32-29-16-14-20(18-33-29)31-24-10-3-1-8-22(24)30(23-9-2-4-11-25(23)31)19-13-15-28-26(17-19)21-7-5-6-12-27(21)34-28/h1-18H
InChIKeyCKYWZJGYRCPPSU-UHFFFAOYSA-N
MW500.40 g/mol
LogP9.38
Rot. Bonds2

About 2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine

2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine (PubChem CID 134531373) has the molecular formula C31H18BrNO and a molecular weight of 500.40 g/mol. Its IUPAC name is 2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine.

Molecular Properties

Compound Name2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine
PubChem CID134531373
Molecular FormulaC31H18BrNO
Molecular Weight500.40 g/mol
Exact Mass499.06
IUPAC Name2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cn1
InChIInChI=1S/C31H18BrNO/c32-29-16-14-20(18-33-29)31-24-10-3-1-8-22(24)30(23-9-2-4-11-25(23)31)19-13-15-28-26(17-19)21-7-5-6-12-27(21)34-28/h1-18H
InChIKeyCKYWZJGYRCPPSU-UHFFFAOYSA-N
XLogP9.38
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.40
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 134531262
2-(4-dibenzofuran-2-ylphenyl)-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 147052468
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
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
2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 175622311
5-dibenzofuran-2-yl-10-phenylbenzo[g]quinoline
CID 59183832
6-[3-(10-phenylanthracen-9-yl)phenyl]-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 122415782
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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine?
The IUPAC name of 2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine (CID 134531373) is 2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine.
What is the SMILES notation for 2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine?
The canonical SMILES for 2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine is Brc1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cn1.
What is the InChIKey of 2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine?
The InChIKey is CKYWZJGYRCPPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18BrNO/c32-29-16-14-20(18-33-29)31-24-10-3-1-8-22(24)30(23-9-2-4-11-25(23)31)19-13-15-28-26(17-19)21-7-5-6-12-27(21)34-28/h1-18H.
What are the key properties of 2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine?
2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine has a molecular weight of 500.40 g/mol, XLogP of 9.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine is sourced from PubChem (CID 134531373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).