5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine

C36H30BrN — CID 134531082

IUPAC5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine
SMILESCC(C)(C)Cc1cccc(-c2ccc3c(-c4ccc(Br)cn4)c4ccccc4c(-c4ccccc4)c3c2)c1
InChIInChI=1S/C36H30BrN/c1-36(2,3)22-24-10-9-13-26(20-24)27-16-18-31-32(21-27)34(25-11-5-4-6-12-25)29-14-7-8-15-30(29)35(31)33-19-17-28(37)23-38-33/h4-21,23H,22H2,1-3H3
InChIKeyGMLAVEBPWCLGAU-UHFFFAOYSA-N
MW556.55 g/mol
LogP10.74
Rot. Bonds4

About 5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine

5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine (PubChem CID 134531082) has the molecular formula C36H30BrN and a molecular weight of 556.55 g/mol. Its IUPAC name is 5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine
PubChem CID134531082
Molecular FormulaC36H30BrN
Molecular Weight556.55 g/mol
Exact Mass555.16
IUPAC Name5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine
SMILESCC(C)(C)Cc1cccc(-c2ccc3c(-c4ccc(Br)cn4)c4ccccc4c(-c4ccccc4)c3c2)c1
InChIInChI=1S/C36H30BrN/c1-36(2,3)22-24-10-9-13-26(20-24)27-16-18-31-32(21-27)34(25-11-5-4-6-12-25)29-14-7-8-15-30(29)35(31)33-19-17-28(37)23-38-33/h4-21,23H,22H2,1-3H3
InChIKeyGMLAVEBPWCLGAU-UHFFFAOYSA-N
XLogP10.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.55
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane
CID 142353445
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
5-bromo-2-[10-(5-bromo-2-pyridinyl)anthracen-9-yl]pyridine
CID 88894608
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882
9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene
CID 86607954
2-[3-(2,2-dimethylpropyl)phenyl]dibenzothiophene
CID 154989313
3-[3-(2,2-dimethylpropyl)phenyl]dibenzofuran
CID 156573505
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2-bromo-9,10-diphenylanthracene
CID 22247163
5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
CID 89023620
5-bromo-2-(4-phenylphenyl)pyridine
CID 59156304
4-[10-[3-(2,2-dimethylpropyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 168838299

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine?
The IUPAC name of 5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine (CID 134531082) is 5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine.
What is the SMILES notation for 5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine?
The canonical SMILES for 5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine is CC(C)(C)Cc1cccc(-c2ccc3c(-c4ccc(Br)cn4)c4ccccc4c(-c4ccccc4)c3c2)c1.
What is the InChIKey of 5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine?
The InChIKey is GMLAVEBPWCLGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30BrN/c1-36(2,3)22-24-10-9-13-26(20-24)27-16-18-31-32(21-27)34(25-11-5-4-6-12-25)29-14-7-8-15-30(29)35(31)33-19-17-28(37)23-38-33/h4-21,23H,22H2,1-3H3.
What are the key properties of 5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine?
5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine has a molecular weight of 556.55 g/mol, XLogP of 10.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine is sourced from PubChem (CID 134531082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).